&EPA
United States
Environmental Protection
Agency
Environmental Research
Laboratory
Athens GA 3O605
EPA-600 4-79-016
February 1979
Research and Development
Identification of
Organic
Compounds in
Industrial Effluent
Discharges
-------
RESEARCH REPORTING SERIES
Research reports of the Office of Research and Development US Environmental
Protection Agency have been grouped into nine series These nine broad cate-
gories were established to facilitate further deve'opment and application of en-
vironmental technology Elimination of traditional grouping was consciously
planned to foster technology transfer and a maximum interface in related fields
The nine series are
1 Environmental Health Effects Research
2 Environmental Protection Technology
3 Ecological Research
4 Environmental Monitoring
5 Socioeconomic Environmental Studies
6 Scientific and Technical Assessment Reports (STAR)
7 Interagency Energy-Environment Research and Development
8 Special Reports
9 Miscellaneous Reports
This report has been assigned to the ENVIRONMENTAL MONITORING series.
This series describes research conducted to develop new or improved methods
and instrumentation for the identification and quantification of environmental
pollutants at the lowest conceivably significant concentrations It also includes
studies to determine the ambient concentrations of pollutants in the environment
and/or the variance of pollutants as a function of time or meteorological factors.
This document is available to the public through the National Technical Informa-
tion Service, Springfield. Virginia 22161.
-------
EPA-600/4-79-016
February 1979
IDENTIFICATION OF ORGANIC COMPOUNDS
IN INDUSTRIAL EFFLUENT DISCHARGES
by
D. L. Perry, C. C. Chuang, G. A. Jungclaus,
and J. S. Warner
BATTELLE
Columbus Laboratories
Columbus, Ohio 43201
Contract No. 68-01-4350
Project Officers
Vincent J. DeCarlo
Office of Toxic Substances
U.S. Environmental Protection Agency
Washington, D.C. 20460
and
Ann Alford
Analytical Chemistry Branch
Environmental Research Laboratory
Athens, Georgia 30605
ENVIRONMENTAL RESEARCH LABORATORY
OFFICE OF RESEARCH AND DEVELOPMENT
U.S. ENVIRONMENTAL PROTECTION AGENCY
ATHENS, GEORGIA 30605
-------
DISCLAIMER
This
p "viewed by the Environmental Research Laboratory
Dubie*r Protection Agency, Athens, Georgia, and approved for *
publication. Approval does not signify that the contents necessarily
reflect the views and policies of the U.S. Environmental Protection Agency
ii
-------
FOREWORD
Nearly every phase of environmental protection depends on a capability to
identify and measure specific pollutants in the environment. As part of this
Laboratory's research on the occurrence, movement, transformation, impact, and
control of environmental contaminants, the Analytical Chemistry Branch identi-
fies and measures chemical constituents of water and soil.
Concern has increased in recent years that man and his environment are
being exposed to unknown industrial pollutants that may represent significant
hazards. A basic step in assessing the problem is the identification and
quantitation of compounds in industrial wastewaters that could appear in
water supplies. The information in this report concerning organic compounds
in industrial effluents will aid environmental decision-makers in assuring
that human health and welfare are protected.
David W. Duttweiler
Director
Environmental Research Laboratory
Athens, Georgia
iii
-------
ABSTRACT
Samples of 63 effluent and 22 intake waters were collected from a wide
range of chemical manufacturers in areas across the United States. The
samples were analyzed for organic compounds in an effort to identify pre-
viously unknown and potentially hazardous organic pollutants. Each water
sample was preconcentrated for analysis of organic compounds in four frac-
tions: volatile organics by helium-gas stripping and semivolatile organics
by extraction with methylene chloride resulting in separate neutral, acidic
and basic fractions. All sample analyses involved a GC/MS/COMP system that
used high-resolution glass capillary GC columns. Organic constituents were
identified using the computerized Biemann mass spectral matching system
together with some manual interpretation and quantified using GC-FID peak
area determinations.
Over 570 compounds were tentatively identified of which 33 are priority
pollutants. Generally, industrial effluents contained few priority pollutants.
Most of the components found in the effluents were specific for a particular
industrial site and did not appear in reoccurring patterns. The data
suggest that many possible environmentally important compounds would be
overlooked if frequency of occurrence is the major criterion for determining
environmentally significant compounds.
We recommend that future studies concentrate on basic compound analyses
and that the biological activity of a compound(s) be established first before
exhaustive screening programs are initiated for environmental pollutants.
Mass spectral data bases containing all the organic compounds produced by
industry should be developed.
This report was submitted in fulfillment of Contract No. 68-01-4350 by
Battelle, Columbus Laboratories, under the sponsorship of the U.S. Environ-
mental Protection Agency. This report covers the period September 30, 1976,
to November 30, 1978, and work was completed as of September 30, 1978.
iv
-------
Foreword
Abstract
CONTENTS
........ iii
Figures vili
Tables ix
Acknowledgement
Introduction „
Conclusions and Recommendations
Analytical Protocol
Analytical Results ~
Future Studies
Sampling ,-
Site Selection
Sample Collection and Preservation j>
Sample Analyses „
Instrumentation „
Volatile Analysis Procedures
Experimental Method
Quantitation -
Semivolatile Analysis Procedures ^
Experimental Method
Quantitation
Quality Assurance Studies
~
Gas Chromatograph Calibration ............ 20
GC-MS-COMP Calibration and Evaluation ........ 20
GC-MS Tune Up Mixture .............. 22
GC-MS-COMP Evaluation .............. 24
Recovery Studies ................... 24
Priority Criteria for GC/MS Analyses ........... 30
Results and Discussion .......... '„'''* ....... ?n
Tentative Identification of Volatile Compounds ...... 40
Tentative Identification of Neutral Compounds ....... 46
Tentative Identification of Acidic Compounds ....... 64
Tentative Identification of Basic Compounds ........ 65
Summary of Identified Compounds in Industrial
Effluent Survey ..................... 66
References .............................
Appendix. Sample Data Tables ................. 72
-------
FIGURES
Number ?a8e.
1 Instrumentation for purge and trap analysis 9
2 Total ion chromatogram of volatile fraction of industrial
effluent 12
3 Extraction procedure
4 Gas chromatogram of neutral fraction of industrial
effluent .• 16
5 Gas chromatogram of acidic fraction of industrial
effluent 17
6 Gas chromatogram of basic fraction of industrial
effluent
18
7 Glass capillary gas chromatogram of the calibration standard
used for non-polar compounds .................. 21
8 Electron impact mass spectrum of DFTPP .............. 23
9 GC-MS-COMP tune up mixture chromatogram on a 30M SE-30
capillary column ........................
10 Gas chromatogram of neutral fraction from water spiked with
BCL standard mixture ..................... 27
11 Gas chromatogram of basic fraction from water spiked with
BCL standard mixture ...................... 28
12 Gas chromatogram of acidic fraction from water spiked with
BCL standard mixture ...................... 29
13 Neutral fraction process blank .................. 33
14 Basic fraction process blank ................... 34
15 Acidic fraction process blank ................... 35
16 Total ion chromatogram obtained from water blank ......... 36
vi
-------
FIGURES (continued)
Number Page
17 Total ion chromatogram obtained from water spiked with
internal standards 37
18 Total ion chromatogram obtained from water spiked with
internal standards and external standards 38
vii
-------
TABLES
Number page
1 Chemicals produced by companies sampled g
2 Internal standards and external standards. ... 13
3 Gas chromatographic conditions 15
4 Recovery of compounds in BCL standard mixture 19
5 Decafluorotriphenylphosphine (DFTPP) 26
6 Periodic recovery of compounds in BCL standard mixture .... -i-i
7 Priority criteria for GC-MS analysis 39
8 Volatile compounds tentatively identified in 63
industrial effluents 41
9 Classification of compounds identified in purgeable
fractions 47
10 Neutral compounds tentatively identified in 33
industrial effluents 48
11 Classification of compounds identified in neutral
fractions 59
12 Acidic compounds tentatively identified in 26 industrial
effluents 60
13 Classification of compounds identified in acid fractions ... 65
14 Basic compounds tentatively identified in 21
industrial effluents 67
15 Classification of compounds identified in basic fractions. . . 69
16 Summary of identified compounds in industrial effluent
survey 70
viii
-------
ACKNOWLEDGMENT
Battelle's Columbus Laboratories and the project team members express
their appreciation to Ann Alford and Dr. Wayne Garrison of the Environmental
Research Laboratory, USEPA, Athens, Georgia, and to Dr. Vincent DeCarlo
of EPA's Office of Toxic Substances for helpful recommendations concerning
site selection and analytical protocols. Gratitude is also expressed to
the regional USEPA offices whose cooperation facilitated the process of
locating sampling sites.
ix
-------
INTRODUCTION
There has been an increasing concern in recent years that man and his
environment are being exposed to unknown industrial pollutants which may
represent significant hazards. One approach to assessing the potential
hazards involves a detailed chemical characterization of waste effluents.
The objective of this program was the identification and quantification of
organic compounds present in representative industrial final aqueous
effluents. The information obtained will help the U.S. Environmental
Protection Agency in its efforts in determining the health and environmental
effects of industrial effluents, determining transport and degradation
mechanisms, developing and assessing monitoring and control technology, and
assessing wastewater disposal permits.
Priority was given to major industrial activities that were most apt to
have significant amounts of organic compounds in their final aqueous effluents
Four different fractions from each effluent sample were analyzed by gas
chromatography (GC) and gas chromatography-mass spectrometry (GC-MS)
procedures. The fractions were acidic and neutral volatiles, neutral semi-
volatiles, acidic semivolatiles, and basic semivolatiles.
The program was designed as a cursory survey of wastewater effluent
samples. A computerized mass spectral search system was used as the basis
for compound identifications. High-resolution glass capillary GC columns
were used to obtain the best possible mass spectra from the GC/MS/COMP
systems. Because of the large number of samples, this program provided for
only limited manual mass spectral interpretation.
-------
CONCLUSIONS AND RECOMMENDATIONS
The conclusions and recommendations concerning this project are
divided into three categories: (1) those which deal with the analytical
protocol used in this program; (2) those which deal with the analytical
results obtained; and (3) those concerned with the design of future
studies for detecting environmentally significant pollutants.
ANALYTICAL PROTOCOL
Stringent quality assurance protocols, such as those established
for this program, must be followed during the performance of
each analysis. Particularly important are instrument calibration
(GC/MS/COMP), process and field blanks, uniformity of capillary
GC system performance and recovery of representative standard
compounds from spiked samples.
Capillary column GC/MS for volatile analysis was demonstrated
in this program to be a sensitive and specific method suitable
for routine work. The improved resolution of the capillary
column (compared to packed columns) provides well resolved
peaks which result in cleaner mass spectra and thus more
certain identification of the various volatile compounds.
However, capillary columns are not the answer for every
analytical problem.
Basic priority pollutants were not found in the industrial
effluents using SE-30 glass capillary columns. Benzidine
and 3,3'-dichlorobenzidine could only be detected reliably
at levels of greater than 50 yg/1 with our method. Con-
sequently, if lower detection limits are necessary for
benzidine analysis, more suitable methods should be used.
One such method is the electrochemical detection of benzidines
following HPLC separation.
Mass spectral and relative retention time data bases con-
taining most, if not all, of the organic compounds produced
by industry should be developed. Present data bases contain
mass spectra of less than 20% of the presently manufactured
industrial compounds. Consequently, identification of
"unknown" pollutants was difficult due to the incomplete data
bases of the mass spectral matching systems. Manual
-------
interpretation procedures are not feasible for a screening
project of this scale.
The majority of pollutants present at levels greater than
10 pg/1 were tentatively identified. However, there is con-
siderable uncertainty associated with some of the interpreta-
tions. In general the most common and most frequently studied
compounds (i.e., hydrocarbons, halocarbons, fatty acids, and
phenols) are identified with a high degree of certainty.
Pollutants which have not been previously identified are of
particular interest in this type of study but they are less
likely to be included in data bases and less likely to be
correctly identified.
The Biemann computer mass spectral matching system does pro-
vide a useful "first guess" in the identification of an
unknown compound, but it is unreliable in determining the
degree of certainty of a particular compound identification.
Thus, the computer generated GC/MS data alone are not sufficient
evidence for the positive identification of "unknown" compounds.
Retention time data and manual interpretation must be used.
Many samples contained only a few components as determined by
preliminary GC analysis, whereas others contained many compounds
in high concentrations. Consequently, the GC screening pro-
cedure used (i.e., priority rating system) saved time and money
by determining which samples contained a sufficient number of
components above a specified concentration level (10 yg/1) to
warrant subsequent GC/MS/COMP analysis. However, the relatively
few contaminants present in those samples not analyzed by GC/MS
may have been potentially toxic components that should be of
concern.
ANALYTICAL RESULTS
• Caution should be used when interpreting the analytical data,
especially the frequency of occurrence tables, because this
was only a limited study.
• Generally, industrial effluents contain few priority pollutants.
In the send/volatile fractions only 17 priority pollutants were
identified and these occurred collectively 78 times—only 10%
of the 816 occurrences of semivolatile compounds. This per-
centage of occurrence of priority pollutants is the upper
limit since the unidentified compounds would not be priority
pollutants.
• Priority pollutants are most prevalent in the purgeable fractions
of industrial effluents. This was expected since most of these
compounds are common industrial solvents. Twenty-two priority
-------
pollutants were identified and occurred collectively 359 times—
51% of the 710 occurrences of purgeable compounds.
Most of the components found in the effluents were specific
for a particular industrial site and did not appear in re-
occurring patterns. Specifically, 176 out of 261 neutral com-
pounds, 56 out of 104 acidic compounds, 39 out of 49 basic
compounds, and 85 out of 159 volatile compounds occurred only
once. These data suggest that many possible environmentally
important compounds (mutagenic, toxic, carcinogenic) would
be overlooked if frequency of occurrence is the major criterion
for determining environmentally significant compounds.
Few polycyclic aromatic hydrocarbons (PAH's) were identified
in industrial effluents. This fact supports the combustion
airborne hypothesis that PAH's enter the surface waters
primarily as a result of the combustion of fossil fuels.
Many different types of heterocyclic compounds appeared in the
basic fraction. Such compounds are very likely toxic or
mutagenic and may prove to be environmentally significant.
FUTURE STUDIES
We recommend that future studies concentrate on basic compounds
using suitable methods of identification and that appropriate
tests for compound activity (toxicity, mutagenicity, carcino-
genicity) be conducted.
We recommend that future studies concerning the environmental
impact of various compounds first identify which compounds are
biologically active (toxicity, mutagenicity, carcinogenicity)
and then apply suitable methods for their detection in the
environment. This could be accomplished by fractionating
extracts using liquid chromatography and screening the fractions
by bioassay techniques (e.g., Ames mutagenicity assay, mammalian
cell toxicity assay). Active fractions would be subfractionated
and studied in detail to identify the biologically active
components.
The current study was concerned only with volatile and semi-
volatile components. The many nonvolatile organic components
that were undoubtedly present and which may be biologically active
were ignored. We recommend that future studies include efforts
to identify biologically active nonvolatile components. This
could be accomplished most efficiently by combining liquid chroma-
tographic fractionation and bioassay techniques with HPLC-MS and
HPLC/1R studies.
-------
SAMPLING
SITE SELECTION
The objective of sampling site selection was to develop a sampling
design system which allowed the collection of representative, usable and
statistically reliable data concerning the possible source of organic pollu-
tants entering receiving waters. A preliminary list of 478 organic chemical
manufacturing facilities was compiled and classified according to type of
chemical industry. Sampling sites were chosen from this list using the
following criteria:
(1) Type of industry
(2) Potential toxicity of anticipated pollutants
(3) Production capacity of company
(4) Willingness of company to permit sampling
In retrospect, the main factor for site selection was the willingness
of the company to permit sampling. The other major criterion was the type
of industry to be considered. These industries included all types of
organic chemical manufacturers and even steel manufacturers because of
their coal tar production. Table 1 summarizes the various types of chemi-
cals produced by these companies.
Letters were sent to 250 corporations requesting permission to sample
at some 450 sites. Each company was informed that data obtained from their
water samples would not be identified with their respective company. In
this way each company's identity will remain confidential. Approximately
10% of the corporations contacted refused to participate. Many corporations
(94 out of 250) had sampling sites (100) which discharged into municipal
treatment plants. These sites were not applicable for this project since
only those effluents which were discharged directly into surface waters were
of interest. Eighteen corporations requested that intake water be analyzed
as well as effluent water. In this way, chemicals identified as being intro-
duced via the intake water would not be erroneously attributed to the manu-
facturing operations.
SAMPLE COLLECTION AND PRESERVATION
Samples were collected from sites in Ohio, West .Virginia, Pennsylvania,
New Jersey, New York, Louisiana, Kentucky, Delaware, and Texas. In total,
samples of 63 outfalls and 22 intakes (plant water supply) were collected.
-------
TABLE 1. CHEMICALS PRODUCED BY COMPANIES SAMPLED
rubber processing chemicals
plastics and resins
dyes, color agents and pigments
aromatic hydrocarbons
surface-active agents
tar, tar prods, petroleum prods.
carbon black
lecithin and derivatives
aliphatic solvents
medicinals or phameceuticals
industrial organic chemicals
organic acids and salts
fatty acids & derivatives
organic sufrace coatings
flavor and fragrance chemicals
pesticides
epoxys
miscellaneous organic chemicals
surfactants
elastomers
catalysts and catalyst supports
polymers
organic intermediates
synthetic fibers
paints and varnishes
enzymes
pulp and paper chemicals
silanes, silicones
leather finishes
chelating agents
amines
printing inks
peroxides
chlorine compounds
edible fats, oils, etc.
synthetic rubbers
Samples were collected in such a way as to provide as representative a
sample as possible from each sampling site. This required close coordination
with facilities personnel to ensure that sampling was performed during a
representative stage of the production cycle. In many cases effluents from
the various operations of a particular plant were pooled and may have been
subjected to purification treatment prior to discharge. These pooled samples
averaged many of the periodic fluctuations in the composition of the
effluents and permitted a grab sample to be taken which was reasonably
representative of several hours of operation. 'For this reason and because
grab sampling is by far the least costly method, grab samples were collected
at all the sites. Other advantages of grab sampling are that contamination
is minimized and the sample can be immediately capped and cooled to prevent
loss of volatile compounds.
Grab samples for analysis of semivolatile compounds were collected in
pre-washed one-half gallon glass bottles containing 5 grams of potassium
bisulfate (KHS04) and 75 grams of sodium chloride. Two bottles of sample
were collected at each intake (or process water source) and process water
outfall. Each bottle was filled approximately half full with sample water.
Next, 150 ml of high purity distilled-in-glass methylene chloride was added
followed by the remaining half portion of sample water. The methylene
chloride prevents microbiological degradation and retards hydrolytic de-
gradation of many organic components by removing them from the aqueous phase.
A field blank was collected at each site in the same manner as a sample
using distilled water (taken to each site from the laboratory) instead of
waste or inlet water. All bottles were appropriately labelled and stored on
ice.
-------
Grab samples to be analyzed for volatile compounds were collected in
40 ml glass vials. Four samples were collected at both the inlet and outfall
by filling each vial until it overflowed. This sampling method ensured that
no air remained in the samples. The completely filled vials were sealed
with screw-caps containing Teflon-lined silicon rubber septa and stored cap-
side down on ice. A field blank consisting of distilled water was prepared
at each site using the preceding overflow method. All water samples were
stored at 4°C until they were extracted and/or analyzed by GC/MS.
-------
SAMPLE ANALYSES
All sample analyses involved a GC/MS/COMP system that used high-
resolution glass capillary GC columns. Volatile compounds were purged from
water by helium, trapped on Tenax and subsequently desorbed. Semivolatile
compounds were extracted from water with methylene chloride using an extrac-
tion scheme that gave the neutrals, acids, and bases as three separate
fractions. These three fractions were analyzed by GC as well as by
GC/MS/COMP.
INSTRUMENTATION
A Tekmar Liquid Sample Concentrator, Model LSC-1, was used for purging
the volatile compounds. The device was equipped with a 25-ml sample con-
tainer and the adsorbent tube was packed with 6 inches of 60/80 mesh Tenax
GC. A 25-ml gas tight syringe with a 3-way valve and 12-inch needle was
used to transfer the water samples to the LSC-1.
The GC/MS system for both the volatile and semivolatile analyses con-
sisted of a Finnigan Model 9500 gas chromatograph coupled with a Finnigan
Model 3200 quadrupole mass spectrometer. The mass spectrometer was inter-
faced to a Systems Industries Model 150 data system.
The GC column for volatile analyses was a 50 m x 0.25 mm i.d. glass
capillary column (Perkin-Elmer) coated with SF-96 (a low molecular weight
methyl silicone fluid). Figure 1 illustrates the instrumentation used in
our purge and trap method.
The GC analyses of semivolatile compounds were performed using a Varian
Model 1840 or Hewlett-Packard Model 5730 gas chromatograph equipped with a
Hewlett-Packard automatic sampler. Each GC was fitted with a 30 m x 0.22
mm i.d. SE-30 glass capillary column (J. & W. Scientific). The calculation
of retention index and concentration relative to the internal standard
(pentadecylbenzene) was performed by a Spectra-Physics Model 4000 chromato-
graphy data system.
VOLATILE ANALYSIS PROCEDURES
During the course of this project it was mutually decided with the
sponsor that all 85 samples would be analyzed for volatile compounds by
using capillary column GC/MS instead of the usual packed column GC/MS
system. The employment of capillary column GC/MS for routine volatile
analyses proved to be a significant technical improvement in this project
by providing well resolved GC peaks which result in clean mass spectra of
volatile compounds.
8
-------
Detorb Gat *nd Sample to Git Chromatograph
(Datorb G« it Uxd at Column Carrier Gi« at
About 2 ml/mm)
Haliuffl Detorb Gat In
(17 pti)
Flowmeter
40 ml/min
VO
Halium Purge In
(12 p«>
Tenax Trap in
Detorb Mode
1180' C for IS mini
25 ml for Mod Sample*
5 ml for "Snrnlly" Samplat
Purga for 15 min at Ambiant T
GC Control!
. Total Column Effluent
to Matt Sp«ctrom«t*r
Styrofoam
Dewar for
Liquid N2
SF 96 Glan Capillary (SO m)
With Immeniblt Loop Which
it ImnwrMd for IS min During
the Daiorb Mod.
I Lab Jack
Ring Stand
Finnigan 9600 GC
(With Door Open)
Analyth conditions Door open at ambient T
for 10 min. then door «hut at 40°C for & min,
than temperature program at 4°C/min to 1SO°C.
I
TEKMAR LIQUID SAMPLE CONCENTRATOR
GC-MS
FIGURE 1. INSTRUMENTATION FOR PURGE AND TRAP ANALYSIS
-------
Exp er iment a1 Met hod
Since the glass capillary column was attached directly to the mass
spectrometer, cryogenic trapping was used to concentrate the entire volatile
sample as a plug on the head of the column. Thus no compounds were
pumped away with the helium by passing through a separator. However, this
method did require some modification of the procedure described in "Sampling
and Analysis Procedures for Screening of Industrial Effluents for Priority
Pollutants".(1) One modification was the use of only Tenax in the adsorbent
tube. If silica gel was added at the front of the absorbent tube, large
amounts of water vapor were eluted during the desorption step. This water
sometimes formed a plug in the glass capillary column. In a second modifi-
cation, the LSC-1 Desorb Mode outlet was used as the capillary column carrier
gas. The helium entered a "T" at the back of the LSC-1 and a small pressure
regulator was installed between the Desorb and Purge inlets. The pressure
was set at 15 psi for the Desorb inlet (i.e., 15 psi was the pressure at the
head of the capillary column) and the purge regulator was set at 12 psi.
The flow rate through the capillary column was about 3 ml/min. The first
coil of the glass capillary column was fashioned into a U-tube about 4 cm
deep which was immersed in liquid nitrogen during the desorption step.
To analyze a sample, 25.0 ml of water sample was poured into the gas-
tight syringe followed by the addition of 200 pi of a solution containing
200 ng of the internal standard (the internal standard was prepared by
diluting 74 pi (100 mg) of 1,2,3-trichloropropane to 10.0 ml with methanol
and then diluting 10 pi of this solution containing 100 pg of internal
standard to 100 ml with sparged water); this gives an internal standard con-
centration of 8 pg/1. The sample was added to the purging device through
a septum and sparged for 15 min with helium at a flow rate of 40 ml per rain.
The Texax trap was then desorbed for 15 min at 180° with the capillary
U-tube immersed in liquid nitrogen. The LSC-1 was then switched to the
Purge mode, the liquid nitrogen was removed from the capillary column, and
data acquisition started. A plug of air reached the source in the mass
spectrometer in about three minutes followed by the separated organic com-
ponents .
The GC/MS conditions were as follows: 1) the initial column tempera-
ture was 25°C and held at this temperature for 10 min after the solvent
front (air) passed through the column; 2) the column was quickly heated to
40°C and held at this temperature for 5 min; 3) the column was then tempera-
ture programmed at 4°C/min to 130°C and held at the final temperature until
all the volatile components eluted (usually 10-15 min); 4) the MS was
scanned from m/e 40-350 with the sensitivity at 10~7 and the electron multi-
plier voltage at about -2.00 KV. Between each run the purging device was
rinsed several times with sparged distilled water and the Tenax trap was
baked out at 210°C for 15 minutes.
2-Bromo-l-chloropropane was initially used as the internal standard.
However, experiments revealed that the 2-bromo-l-chloropropane was not com-
pletely resolved from toluene and also exhibited two isomer peaks on the
10
-------
SF-96 capillary column. Consequently, 1,2,3-trichloropropane was used as
the internal standard. The internal standard (200 ng) was added to each
sample including the blanks and reference solutions. Retention times
relative to 1,2,3-trichloropropane were calculated for each compound found
in the samples. Figure 2 shows a typical RGC of the volatile components in
an industrial wastewater samples.
Quantitation
The quantitation of each volatile compound using extracted ion currents
of major ions of each compound would be time consuming (computer time) and
costly. Therefore, it was mutually agreed with the sponsor that a semi-
quantitative estimation of the amount of each volatile component found would
be adequate for this program. Relative peak heights of reference compounds
(i.e., response factors) in the normalized total ion chromatogram (T.I.C.)
were used to estimate the concentrations of each compound in the samples.
The relative responses of acetone, diethyl ether, benzene, chlorobenzene,
and o-xylene (compounds which appear in many of the industrial samples) were
determined to be in a 20-fold range and depended upon the stripping effi-
ciency of the procedure (related to compound solubility and volatility) and
the ionization and chromatographic characteristics (polarity, molecular
weight, etc.) of the compounds. For compounds identified in the samples,
estimated relative response factors were used to estimate the approxi-
mate quantity of each compound. Initially, relative responses for a few
samples could not be obtained because the sample components were so concen-
trated that the internal standard peak was not observed in the normalized
TIC plot. Consequently, three additional internal standards (bromochloro-
methane, 2-bromo-l-chloropropane and 1,4-dichlorobutane) were added to all
samples. This modification permitted reliable semi-quantification of the
volatile compounds in the industrial water samples. Table 2 lists the
relative responses of internal and external standards used in our semi-
quantification of volatile compounds.
SEMIVOLATILE ANALYSIS PROCEDURES
Each of the 85 water samples was extracted to give three fractions
containing the neutral, acidic, and basic semivolatile compounds, respec-
tively. These fractions were gas chromatographed (methylated acid fraction)
to obtain semiquantitative data and to prioritize the respective fractions
for subsequent GC/MS/COMP analysis. Only the top priority fractions (total
of 89) were analyzed by GC/MS/COMP.
Experimental Method
Semivolatile organic compounds were extracted from each water sample
using the procedure illustrated in Figure 3.
Each 1500 ml sample, previously treated with 5 g of KHSO^ and 75 g of
NaCl, was spiked with three internal standards—hexaethylbenzene, 2,4-
dimethylaniline and palmitic acid. The pH was adjusted to pH^l using H2S04
and the sample extracted three times with nanograde distilled in glass
11
-------
tBO-I
88-
60-
18-
28-
TOTPL ICN OfCffiTOGRftl CX ID
#14 Dimethyl disulfide
I (**)
#10 1,1,1-Tri-
chloroethane
(*)
AI
#16 Thiacyclopentane
(*)
28
r
300
I
780
I
600
I
909
I
leas
\
lies
"I
1293
I"
1308
103
600
Figure 2. Total ion chromatogram of volatile fraction of industrial effluent.
-------
TABLE 2. INTERNAL STANDARDS AND EXTERNAL STANDARDS
Amount in 25-ml Concentration, Relative
Compound water sample, ng yg/1 Responsea
Acetone
Diethyl ether
Benzene
Chlorobenzene
o-Xylene
Bromochloromethane
2-Bromo-l-chloropropane
1 ,4-Dichlorobutane
1,2, 3-Tr ichloropropane
473
142
178
221
176
200
200
200
200
19.0
5.7
7.0
8.8
7.0
8.0
8.0
8.0
8.0
0.8
7.3
11.5
3.2
3.8
5.0
3.9
1.1
1.0
(a) Response/concentration relative to that of the internal standard, 1,2,3-
Trichloropropane
methylene chloride. The combined methylene chloride extracts (neutral and
acidic fractions) were extracted twice with 0.2N NaOH resulting in organic
(neutral fraction) and aqueous (acidic fraction) layers. The organic layer
was washed with 0.1N HC1, dried over anhydrous sodium sulfate, filtered, and
concentrated to 400 yl using a Kuderna-Danish evaporator.
The aqueous layer (acidic fraction) was made acidic (pH=l) with 6N HCl
and extracted three times with methylene chloride. The resulting organic
layer was dried, filtered and concentrated to 400 yl. The solution was
split in half. Half was methylated using a diazomethane generator and the
other half was stored for possible reanalysis.
The original acidic aqueous layer (basic fraction) was made alkaline,
(pH=12.5) using 2N NaOH, extracted three times with methylene chloride,
dried, filtered, and concentrated to 400 yl.
An internal standard, 20 yg of pentadecylbenzene was added to each of
the respective fractions together with 400 yl of benzene. Each fraction was
concentrated to 400 yl, split in half and stored at 4°C until GC or GC/MS
analysis. By replacing methylene chloride with the higher boiling solvent
benzene, samples had longer storage life. More importantly, the "solvent
effect" produced by benzene improved column resolution and peak shape in
subsequent splitless injections of GC/MS analyses.
13
-------
FIGURE 3. EXTRACTION PROCEDURE
1500 ml of waste water effluent
5.0 g of KHSO,
1 ml of cone. H,SO.
75.0 g of NaCl i *
pH - 1
1. extract with CH-C1-
150 ml + 50 ml 4 50 ml
I
1500 ml of aqueous layer
pH - 1
1. extract with 0.2 N NaOH
200 ml + 200 ml
1. wash ON with 100
ml 0.1N HC1
2. dry over Na_SO,
3. K-D evaporate
4. ext. std.
Pentadecylbenzene
added
Neutral fraction ready for
GC, GC-MS analysis
J_
1. add 50 ml of 2N NaOH (pH»12.5)
2. extract with CH^Cli (150 ml +
50 ml + 50 ml)
I Aqueous layer
add 20 ml of 6N
HC1 (pH - 1)
extract with
CH2Cl2 50 ml +
50 ml + 50 ml
dry over Na^O^
K-D evaporate
ext. std. Pentadecylbenzene
added
Basic fraction ready for
GC, GC-MS analysis
CH2C12 layer
solution OA
1. dry over Na_SO,
2. K-D evaporate
3. ext. std. pentadecylbenzene added
A. methylate with CH.N,
Acidic fraction ready for
GC, GC-MS analysis
14
-------
All 255 fractions were analyzed by GC using the conditions listed in
Table 3.
TABLE 3. GAS CHROMATOGRAPHIC CONDITIONS*
Injection procedure 2 yl 10:1 split
Initial temperature 60°C
Initial time 5.0 rain.
Programming rate 4°C/min.
Final temperature 260°C
Final time 35 min.
Injector temperature 250°C
Detector temperature 300°C
*30 m x 0.22 mm i.d. SE-30 glass capillary
column.
Figures 4, 5 and 6 illustrate typical gas chromatograms of the respec-
tive neutral, acidic, and basic fractions from industrial waste-water
effluents. The GC/MS conditions for semivolatile compound analysis were
similar except that a 2 yl splitless injection was used.
Quantitation
The emphasis of this program was on the identification and not quanti-
fication of organic compounds. Consequently, semiquantitative methods based
solely on gas chromatography were sufficient. The Spectra-Physics 4000 data
system calculated concentrations using pentadecylbenzene as an internal
standard. The sample component concentrations were calculated using "esti-
mated response factors" which were obtained by correlating the following:
(1) The relative response of a similar compound found in the
BCL Standard Mixtures (Table 4);
(2) The recovery of the respective fractions (determined by
comparison of internal with external standard);
(3) The shape of the respective GC peak and baseline (which
indicated how accurately each peak area was integrated).
The reliability of our quantitative data depended ultimately upon the
computer integration of the respective GC peak areas. Because of actual
problems associated with this procedure (co-eluting compounds, poor GC peak
shape and/or irregular baseline), the following ranges were established for
reporting compound concentrations:
(1) * = less than 10 yg/1
(2) ** - 10-100 yg/1
(3) *** = greater than 100 yg/1.
15
-------
1,4-Dichlorobenzene (*)
.Tributyl phosphate (**)
Trixylyl phosphate (**)
Figure 4
Gas chromatogram of neutral fraction of industrial
effluent. Experimental conditions: 2 ul injection at
60°C onto a SE-30 column 30 m x 0.22 mm i.d. glass capillary
column. Temperature programmed from 60°C (held for 5 minutes)
at 4°/min to 260°C (held for 35 minutes).
-------
02 Benzole Acid (**)
#4 Methyl
cyclohexene-
1-carboxylic
acid (**)
#5 Dpdecanoic
Acid (*)
f#7 C - 14 Branched Fatty Acid + Methyl Phenol (***)
if
Figure 5. Gas chromatogram of acidic fraction of industrial
effluent. Experimental conditions: 2 yl injection
at" 60°C onto a SE-30 column 30 m x 0.22 mm i.d.
glass capillary column. Temperature programmed
from 60°C (held for 5 minutes) at 4°/min to 260°C
(held for 35 minutes).
-------
oo
#5 1,6-Naphthrldine (**)
9 Methylcinnoline (***
Dimethyl naphthyridine
(*)
4— Internal standard
Figure 6. Gas chromatogram of basic fraction of industrial
effluent. Experimental conditions: 2 pl injection
at 60 C onto a SE-30 column 30 m x 0.22 mm i.d.
glass capillary column. Temperature programmed
from 60°C (held for 5 minutes) at 4%nin to 260°C
(held for 35 minutes).
-------
Table 4. Recovery of Compounds in BCL Standard Mixture
1.
2.
3.
A.
5.
6.
7.
8.
9.
10.
11.
12.
13.
1.
2.
3.
A.
5.
1.
2.
3.
A.
5.
Compound
Chlorobenzene
Nonane
1 , 2 , A-Tr imethylbenzene
Naphthalene
Decylaldehyde
Dlbenzofuran
Tri-n-butyl Phosphate
Pentadecanol
Dibutyl Phthalate
Carbazole
Pyrene
Methyl Stearate
Heptadecylcyclohexane
2 , 6-Dimethylphenol
p-Nltrophenol
m-Nltrobenzoic Acid
2,3,4,5-Tetrachlorophenol
Palmitic Acid
N-Ethylmorpholine
Dibutylamine
2 , A-Dimethylaniline
Quinoline
m-Nitroaniline
.No. of Runs
A
A
A
A
A
A
A
A
A
A
A
A
A
Acidic Fraction
5
A
A
5
5
Basic Fraction
5
2
5
5
5
Relative
Standard
Recovery, % Deviation, %
9A.3 + 8.7
87.9 + 9.5
98.9 + 8.1
88. A + 7.2
88.7 + 11.0
93.0 + A. 6
85.8 + 5.2
155.8 + 60.8
85.1 + 9. A
131.0 + 12.9
88.6 + 12.2
82.8 + 8. A
79.0 + 9.0
97.5 + 8.1
26.6 + 3. A
AS. 2 + 20. A
97.0 + 7.2
118.8 ± 15.8
98.9 + 8. A
70.5 + 9.6
9A.9 + 1A.A
109.5 + 6.8
72. A. + 11.8
9.2
10.1
8.1
8.1
12.4
A. 9
6.0
39.0
11.0
9.8
13.7
10.1
11.3
8.3
12.7
A5.0
7. .A
13. A
8. A
13.6
15.1
6.2
16.3
19
-------
QUALITY ASSURANCE STUDIES
An essential and enlightening aspect of this project was the continued
use of various quality assurance measures. Because of the variety of
chemical and physical properties of compounds expected to be found and the
yg/1 detection limit, stringent standards were necessary to validate our
procedures for the extraction, detection, and identification of compounds
from industrial wastewater effluents. These quality assurance standards
included instrumental calibration, recovery studies, and process and field
blank studies.
Gas Chromatograph Calibration
A standard solution containing 2,6-dimethylphenol (DMP), 2,4-
dimethylaniline (DMA), decylaldehyde, decanol, ji-tridecane, and n-tetradecane
was injected into the GC to determine the polarity, separation number (SN),
and number of effective plates (Neff) of the glass capillary column. This
evaluation was made each time a column was connected in the GC and each time
column degradation was suspected. In order for a GC column to have been
acceptable for sample analysis the following conditions had to be met.
(1) Neff £ 50,000
(2) SN < 25
(3) Area of DMP/Area of DMA = 0.5 to 2.0
(4) Width of half height for decanol £ 4 x width at half height
for tridecane.
In addition, a mixture containing Cg to C%2 ri-paraffins was analyzed
periodically to calibrate the retention time in terms of retention index
(R.I.). This retention index calibration was made each time a column was
connected in the GC and each time the retention index of the internal
standard changed by 4 units relative to the previously calibrated value.
A typical gas chromatogram obtained by the injection of this calibration
standard mixture is shown in Figure 7.
GC-MS-COMP Calibration and Evaluation
The GC-MS-COMP system is checked daily by injecting a tune-up standard
mixture and employing the following procedures and criteria.
Mass Spectrometer Tune Up
(1) Adjust zero level of the mass spectrometer using a
preamplifier setting 10~^ amp/volt, and the filament
(800 yA) and electron multiplier (^ 2kV, gain ^5 x
on.
20
-------
2,6-DIMETHYLPHENOL
INJ.
_LJ
2,4-DIMETHYLANILINE
DECANOL
DECYLALDEHYDE
'14
Figure 7. Glass capillary gas chromatogram of the calibration
standard used for non-polar columns.
-------
(2) Admit FC-43 into the ion source and tune the US as follows:
(a) Using the potentiometers on the "Ion Source Controller",
optimize the electronics to give highest intensity
with best peak shape for m/e 219 as described by the
manufacturer (see service manual).
(b) Set the controls to scan the range 400-600, and further
adjust the ion source controller to give a 219 ion peak
intensity of ^50-70% of that of the repeller to ^10 V,
then decreasing the ion energy slightly. Again focus
on m/e 219 and adjust the lens voltage for good peak
shape. Tuning in this manner will favor the high mass
end of the spectrum (i.e. >200). Decafluorotriphenyl-
phosphine (DFTPP) is admitted via the solids probe into
the mass spectrometer. Its spectrum should be comparable
to that of Eichelberger, et al. [(Anal. Chem., 46 (7),
995 (1975)]. A spectrum of DFTPP taken in this manner
is shown in Figure 8.
(c) Check peak shape and resolution at 18, 69, 219, 264,
414, and 502.
(d) Check calibration using CONT mode using 10 samples/amu.
GC-MS Tune Up Mixture
Inject 1.0 yl of the "Tune Up Mixture" using a syringe with a 4"
needle and splitless techniques. This mixture contains 30 ng each of
2,4-dimethylaniline and 2,6-dimethylphenol, and 10 ng each of 1-octadecene,
octadecane, phytane, DFTPP, and methyl stearate. The conditions of the
GC and computer are as follows:
(1) GC
(.0.} Cool column to room temperature
0>) Set initial temperature to 20°C and final temperature
to 200°C
(c) Set the program rate to 20°C/min
(d) Inject 1.0 yl of the mixture using splitless techniques
(e) When the solvent elutes into the mass spectrometer,
begin the temperature program
(f) Data collection can begin after solvent has passed
(2) Data System
(a) Mode: IFSS
(b) Max repeat count: 5
(c) Integration time: 2
(d) Check lower threshold: 2
(e) Lower threshold: 3
22
-------
198
8-
S_
¥-
mtff _
bS.
£8-
to _
U> 8-
-r-T-Jr-l
IB 10 (
n/e
e
a ee
>9
ill
f^ft
TO
n
mi I
iiiiii"iiii.i"ii,..i
ee ao
lea
I
I
1 "'I'"'!"
10 120
| ,
13B
1.. .1 .,
'••I1'1 1""*
lie IEO
1 „
ice ive ins
| „ 1,
13B
zee
zie zzs zao zio za
Li. l.,t
> zee ZT«
44
, , ,< , -,'
1 ZOO ZM SOB 310 320 338 31O 3SO 3GO 37O 380 333 108 'tlO tZO -GO V
2
,
«9
Figure. 8. Electron impact mass spectrum of DFTPP
-------
(f) Upper threshold: 1
(g) Clock: Y
(h) Fast scan opt: Y
(i) Delay between scans: CR
(j) Start clock 10 seconds after GC injection
GC-MS-Comp Evaluation
The resulting data were evaluated using the Selected Ion Summation
Program (SIS) and plotting the Reconstructed Gas Chromatogram (RGC). A
typical SIS reconstructed chromatogram is shown in Figure 9. The following
parameters were evaluated:
(1) Capillary column pH - Peak heights of aniline (DMA) and phenol
(DMP) were equal if the column was neutral; a decrease In aniline
indicated an acidic column and a decrease in phenol indicated a
basic column. Area of DMP/Area of DMA should be within the range
of 0.5 to 2.0.
(2) Capillary column resolution - The hydrocarbon GC peaks were used
to evaluate resolution. The GC peaks should be resolved with
no more than a 50% valley.
(3) MS Tuning - DFTPP was used to evaluate the MS tuning under
dynamic conditions. A spectrum on the front side of the
DFTPP GC peak (before peak maximum if possible) was observed
using CRTPLT. Eichelberger's criteria were used to evaluate
this spectrum. A summary of these criteria are given in
Table 5.
(4) GC/MS transfer line - Methyl stearate was included in the
mixture to evaluate the transfer line system of the GC/MS. When
the transfer line was inadequately heated, the methyl stearate
peak tailed. Obtaining a symmetrical peak for methyl stearate
verified that large, involatile molecules can elute from the
capillary column into the mass spectrometer.
Recovery Studies^
For the send/volatile compound recovery studies, 13 neutral compounds,
5 basic compounds and 5 acid compounds (BCL Standard Mixture, see Table 4)
were selected to ensure a wide range of GC retention times and different
functional groups. Recovery studies were performed by analysis of process
blanks spiked with the BCL Standard Mixture at a level of 13.3 yg/1. Two
process blanks were analyzed in one set of runs and three process blanks
were analyzed in another set of runs one week later. Recovery data are given
in Table 4. Representative gas chromatograms of neutral, basic and acidic
process blanks are shown in Figures 10, 11 and 12, respectively.
For most compounds, recovery was greater than 80%. Coeluting contamin-
ants accounted for excessively high recoveries for pentadecanol and carbazole.
24
-------
100-1
TOTFL ICN CHRQKRTOGRR21 CX 13 TUNE UP MIX 1P1-20
4-PHYTANE
C3-
to
Z3-
DIMETHYL
PHENOL
DIMETHYL
ANILINE
a
j
IC3
OCTADECANEj
OCTADECENE
DFTPP
LJI
' I
1S3
I
239
I
23J
METHYL STEARATE
if
•ca
Figure 9. GC-MS-COMP tune up mixture chromatogram on a 30M SE30 capillary column
-------
Table 5. Decafluorotriphenylphosphine (DFTPP)
Mass Ion Abundance Criteria
51 30-60% of Mass 198
68 Less than 2% of Mass 69
70 Less than 2% of Mass 69
127 40-60% of Mass 198
197 Less than 1% of Mass 198
198 Base peak, 100% relative abundance
199 5-9% of Mass 198
275 10-30% of Mass 198
365 1% of Mass 198
441 Less than Mass 443
442 Greater than 40% of Mass 198
443 17-23% of Mass 442
Eichelberger, et al., Analytical Chemistry, 47 (7)
995 (1975).
Two compounds, _p_-nitrophenol and m-nitrobenzoic acid gave low recoveries,
27% and 45%, respectively. This was expected since these two acid compounds
are very polar and fairly soluble in water. The reproducibility of the
recoveries achievable is indicated by relative standard deviations of less
than 15% in most cases.
As is true for all analytical programs, a continuing quality assurance
program is necessary to ensure continued reliability of data. Consequently,
weekly recovery checks carried out over a period of 4 months were made for
this program. Table 6 lists these results.
The periodic recoveries of each compound in the BCL standard mixture
generally averaged over 70%. The reproducibility of the respective recoveries
was indicated by relative standard deviations of approximately 20% in most
cases. Only the polar compounds £-nitrophenol, m-nitrobenzoic acid and
m-nitroaniline had low recoveries and/or high relative standard deviations.
Process and Field_Blank Studies
Blank studies were performed on each of the following reagents used in
the sample collection and extraction procedures: CH2C12, NaCl, KHS04,
26
-------
123
I
J
iljj
l.tul
Uutf
10
12
11
13
L
Figure 10. Gas chromatogram of neutral fraction from water spiked with BCL standard mixture
Experimental conditions: 2 pi injection at 60°C onto a SE-30 column 3 m x 0.22 mm i.d,
glass capillary column. Temperature programmed from 60°C (held for 5 minutes) at
4°/min to 260°C (held for 35 minutes). See Table 4 for identity of components.
-------
to
oo
1
1
I
i
\
J '
t« j
1
>»
•H
M
3
O,
e
•H
1
J*
2
i
X
u
H
Q.
a
-J^J
n
c
c
JJ
•H
M
IX
-------
S3
VO
Figure 12. Gas chromatogram of acidic fraction from water spiked with BCL standard mixture
Experimental conditions: 2 yl injection at 60°C onto a SE-30 column 30 m x 0.22 mm i.d,
glass capillary column. Temperature programmed from 60°C (held for 5 minutes) at
4°/min to 260°C (held for 35 minutes). See Table 4 for identity of components.
-------
2_N NaOH, 6N HC1, H20 (millipore water). Methylene chloride was studied by
1000-fold concentration followed by GC analysis. All other reagents were
extracted with CH2C12 which was then concentrated for GC analysis. Similar
studies were carried out on the diazomethane generator, sample vials, filter
paper, and Teflon liners (for vial caps). The GC results indicated that
no contaminants from these sources were present at levels equivalent to
<1 ug/1 of water analyzed. Figures 13, 14, and 15 show typical examples
of neutral, basic, and acidic process blanks, respectively.
Volatile sample blanks were generally run at the beginning of each
day's analyses. The water used was previously sparged overnight with
50 ml/min of nitrogen at 50°C. The sparged water blanks generally yielded
several small peaks (<1 ug/1) which probably are contaminants in the
commercial distilled water. Figures 16, 17, and 18 show volatile sample
process blanks and water spiked with internal and external standards.
Field blanks were obtained for each site sampled. Analysis of various
field blanks for volatile and semivolatile compounds indicated no signifi-
cant contamination occurred during any of our sampling procedures. Methylene
chloride and chloroform were found in many of the volatile field blanks but
at levels below the concentrations found in the respective effluent samples.
PRIORITY CRITERIA FOR GC/MS ANALYSES
In an effort to obtain as much useful information as possible within a
limited budget it was mutually agreed with the sponsor that GC/MS analysis
of semivolatiles would be performed only on selected fractions. Priority
was given to those fractions which were shown by GC analysis to contain
several components at levels higher than 10 yg/liter that could not be
tentatively identified on the basis of their GC patterns and retention
indices. Table 7 lists the three priority ratings and their respective
criteria. In most cases, only the "-H-" rated fractions were analyzed by
GC/MS. In total, 89 fractions (39 neutrals, 29 acidics and 21 basics) were
analyzed by GC/MS.
30
-------
Table 6. Periodic recovery of compounds in BCL standard mixture
Compound
Recoverv . I . From
12/27/77
1/3/78 1/11/78
Spiked Process Blank
1/23/78
1/31/78
Extracted on Given Date
2/6/78
2/9/78
2/13
/78
2/20/78
Neutral Fraction
1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
Chlorobeniene
Nonane
1,2. 4-Trlmethylbenzene
Naphthalene
Decylaldehyde
Dlbenzofuran
Trl-n-butyl phosphate
Fentadecanol
Dibutyl phthalate
Carbazole
Fyrene
Methyl atearate
Heptadecylcyclohexane
Hezaethylbenzene
111
106
115
108
108
116
108
114
102
112
80.0
86.6
76.0
—
96.2
95.5
107
99.5
93.1
105
85.4
125
76.2
88.7
79.1
82.5
71.3
—
105
96.0
106
108
107
114
118
106
125
116
95.2
104
96.4
—
57.6
50.5
72.3
87.9
101
103
110
118
99.5
106
105
101
98.8
104
83.6
74.4
58.4
74.9
86.6
71.5
104
109
118
77.1
75.5
89.2
78.3
85.1
67.9
55.6
48.0
73.1
78.6
76.7
118
115
129
91.9
90.1
108
84.1
121
108.2
80.9
94.1
104
30.1
98.1
98.7
69.5
73.3
79.7
72.2
74.4
78.3
113
69
26
53
81
40
105
125
104
111
115
101
108
81
116
.2
.3
.3
.8
.1
.2
72.3
60.9
75.8
80.2
86.8
84.9
82.5
80.0
96.7
140
77.5
105
84.4
93.1
Acidic Fraction
1.
2.
3.
4.
5.
2 ,6-Dloethylphenol
p-Nltrophenol
m-Nltrobenzoic acid
2,3,4, 5-Tetrachlorophenol
Palnltlc acid
57.5
16.7
14.4
74.4
86.9
51.9
10.7
16.6
70.0
75.4
33.3
21.0
9.1
55.8
74.5
62.5
20.3
40.0
56.6
62.1
94.1
35.6
37.5
75.8
85.5
81.6
12.5
10.2
66.7
71.4
68.3
29.8
28.0
60.6
57.1
59
24
57
70
74
.5
.6
.5
.1
.6
70.1
21.3
36.0
63.1
71.4
Basic Fraction
1.
2.
3.
4.
5.
N-ethylmorpholine
Dlbutylamine
2 , 4-Dimethylanillne
Quinoline
m-Nltroanlllne
78.7
107
68.1
82.9
30.0
88.9
125
81.8
88.6
20.9
106
128
90.9
107
15.0
75.9
75.6
92.1
107
49.0
94.1
74.4
76.9
121
63.0
61.2
82.5
88.1
95.6
46.2
69.4
58.2
111
109
68.7
42
52
92
85
15
.9
.1
.1
.7
.1
66.4
101
107
110
32.0
-------
Table 6. (Continued)
Compound
Neutral Fraction
1. Chlorobenzene
2 . Nonane
3. 1,2,4-Trimethylbenzene
4. Naphthalene
5 . Decylaldehyde
6. Oibenzofuran
7. Tri-n-butyl phosphate
8. Pentadecanol
10. Carbazole
11. Pyrene
12. Methyl atearate
13. Heptadecylcyclohezane
14. Hexaethylbenzene
Acidic Fraction
1. 2,6-DlBethylphenol
2. p-Nitrophenol
3. B-Nltrobenzolc acid
4.' 2,3,4.5-Tetrachlorophenol
5. Palmitic acid
Baalc Fraction
1 . n-EthylBorpboline
2. Dibutylamlne
3. 2,4-Dl»ethylanlllne
4. Qulnollne
5. B-Nltroanlllne
Recovery.
3/15/78
73.6
82.6
94.1
93.1
80.5
88.8
93.2
102
87.3
76.6
82.6
84.6
101
75.1
38.3
46.0
75.8
74.6
88.0
73.0
85.0
98.8
31.4
Z. From Soiked Process Blank Extracted on
3/20/78
65.3
73.8
82.2
80.0
82.4
83.6
84.3
79.3
75.0
68.2
72.6
86.6
70.1
75.0
27.7
40.0
66.7
74.3
92.5
69.9
68.3
72.6
20.1
3/27/78
51.5
55.0
68.8
73.8
69.1
93.2
80.8
80.3
96.4
73.4
78.3
75.2
101
96.7
23.4
44.0
84.8
71.5
88.0
73.2
66.7
82.1
28.6
4/1/78
85.7
61.7
92.1
68.3
53.7
95.3
96.7
48.5
53.3
55.6
57.1
55.1
76.4
55.1
21.2
19.0
42.4
44.3
120
80.9
123
90.5
40.0
4/10/78
69.4
60.1
84.1
59.2
60.2
54.2
56.7
42.2
61.7
61.1
52.1
56.2
73.6
83.3
27.7
14.0
72.7
65.7
108
40.2
96.4
112
40.2
4/17/78
61.2
86.9
109
63.3
57.9
50.8
47.2
37.5
55.3
57.1
47.5
53.1
96.4
53.3
23.4
16.1
40.0
41.0
80.0
55.2
64.3
71.8
14.3
Avg. + std.
Dev. (I)
78.5 + 18.3
71.1 ± 20.5
84.0 + 20.8
83.8 + 15.3
75.7 + 22.8
89.3 + 19.0
93.9 + 21.2
86.6 + 27.8
90.3 + 23.8
77.8 + 14.3
83.3 + 19.4
77.3 + 13.3
95.9 + 16.3
67.8 + 16.5
23.6 + 7.3
28.5 + 14.9
66.0 + 11.9
68.7 ± 12.5
84.0 -I- 19.0
79.7 + 24.8
87.4 + 16.7
95.6 + 14.5
34.2 + 16.5
Relative
Std. Dev. (I)
23.3
28.8
24.8
18.2
30.1
21.2
22.5
•so n
J£ . U
26.4
18.4
23.2
17.2
17.0
24. 3
20.9
52.2
18.0
18.3
22.6
30.1
19.1
15.2
48.2
-------
u>
u>
X)
o.
o.
in
•
O
c.
o.
XLd
JJL
el
o
•O
ID
4J
-------
n
O.
O.
O.
0,
O
c
Q.
O
a.
(X
Figure 14. Basic fraction process blank
-------
OJ
Ui
i
Figure 15. Acidic fraction process blank
Experimental conditions: 2 pi injection at 60°C onto a SE-30 column 30 m x 0.22 mm i.d.
glass capillary column. Temperature programmed from 60°C (held for 5 minutes) at
4°/min to 260°C (held for 35 minutes).
-------
109-1
03-
OJ
48-
28-
7OTR. ICN CWCffiTOGRPM CX 15 WRTT6R BLK 1-13
.Air
Dlchloroethylene
/ fDichloromethane
V-
V.
.rbon disulfide
Chloroform
/Trichloroethane
/Benzene
^Toluene
169
T
>nTr
GOO
v-vpr
E53
303 *» S83 655 788
Figure 16. Total ion chromatogram obtained from water blank.
rr'l' I {'"
£88 16G3 1163
-------
MB-I
TOTFL ION OfCMFTTOGRRM CX 13 IS-H81
Air'
09-
u>
as-
<0
&
4-1
0)
J-l
-------
188-1
TOTfL ION OFJOMRTOGRflM CX ID INTERNFL STEM RJJS BCTERNFL STD 4181
69-
€3-
Ui
oo
4B-
28-
Bromochloro
methane
8 ug/l
Diethyl i
ethyl
ether
5.7 pg/1
I
Air
I
£
ta
n
^
:etone
<
V
L_
i
i
w.
(-—Benzene
7 yg/1
Chlorobenzene
/ 8.8 pg/1
* o-Xyiene
Bromochloropropene ^ 7 yg/1
7 Ug/l
j\
j, 1,4-Dichloro-
lr butane V
i 8 ug/l \ 1,2,3-Trichloropropane
i •"• .^^8 11 ^SLl M.
1 | . ^^^^ ^ O*
1 . 1 L_ Wl
T- i i i i i i i j i
100 230 303 400 SOT 609 703 653 £33 1CBB
Figure 18. Total ion chromatogram obtained from water spiked with internal standards
and external standards
-------
TABLE 7. PRIORITY CRITERIA FOR GC-MS ANALYSIS
Priority Criteria
A zero priority rating is given to any fraction which contains no compounds above a
concentration of 4 yg/1 or contains compounds 4 yg/1 that have been tentatively
identified by retention index or GC patterns in context with historical data.
u>
""
A "+" priority rating is given to fractions on the basis of the following criteria.
Compounds greater than 4 yg/1 but not sufficient for ++ priority.
A "++" priority rating is given to fractions on the basis of the following criteria.
• 10 or more neutral compounds with cone > 10 yg/1 not previously identified
• 4 or more acidic compounds with cone > 10 yg/1 not previously identified
• 2 or more basic compounds with cone > 10 yg/1 not previously identified
• Cone, of any given compounds >100 yg/1.
-------
RESULTS AND DISCUSSION
The procedures used to tentatively identify each organic compound, while
specific for individual compounds, employed these general operations. First
the GC/MS/COMP analysis of each sample generated many individual mass '
spectra and total ion chromatograms (TIC). Inspection of each TIC resulted
in the selection of a mass spectrum number and a background subtract
spectrum-number for each "peak" likely to produce a good mass spectrum.
Second, a computerized Biemann mass spectral matching system (NIH-EPA data
base, =25,000 spectra) generated a Similarity Index (S.I.=1.000=perfect
match) for the spectrum of each semivolatile compound with a concentration
greater than 10 ug/1 and selected volatile compounds. The S.I. provided a
good first guess as to a compound's identity, but it was unreliable in
determining the degree of certainty of a compound's identity. Consequently,
many of the mass spectra were manually interpreted and compared to reference
spectra in published data bases (2,3) before a tentative identification was
made.
Samples containing many and/or concentrated components produced "mixed"
mass spectra (two or more compounds eluting simultaneously) in the GC/MS
analysis. In many instances of coeluting peaks only general compound names
could be assigned (alkyl alcohol, subst. benzoic acid, subst. benzene).
Individual isomers and/or members of a class of compounds (Cs-alkylbenzenes,
fatty acid methyl esters) were rarely identified because time and funds did'
not permit the required analyses with authentic compounds. In general, the
two limiting factors concerning the tentative identification of organic
compounds were the "purity" of each sample component mass spectrum and whether
or not each compound's spectrum was in accessible data bases.
TENTATIVE IDENTIFICATION OF VOLATILE COMPOUNDS
The analysis of 63 industrial effluents for purgeable organic compounds
resulted in tentative identifications of 159 compounds. In general,
the compounds were cleanly separated from each other resulting in clean,
easily interpretable spectra. A few samples were selected for Biemann
spectral matching on the computer, but most of the compounds were tentatively
identified using manual interpretation procedures and the aid of published
data bases.(2,3)
Table 8 is a comprehensive list of the volatile compounds tentatively
identified in the 63 industrial waste-water effluents and their frequency
of occurrence. The purgeable organic compounds tentatively identified in
each of the 85 samples (63 effluents, 22 intakes) are listed in tables
found in the Appendix.
40
-------
Table 8. Volatile Compounds Tentatively
Identified in 63 Industrial Effluents
Compound^
Hydrocarbons
Aliphatic
Butene
C.H,-
5 10
C,H. .
6 14
C-.H,.
7 14
C_H,,
7 16
C8H16
C.H,0
9 18
C9H20
C10H12
C10H16
C10H20
Cyclohexad iene
Cyclohexane
C.-Alkylcyclohexane
C,-Alkylcyclohexane
Cyclohexene
Cyclooctatetraene
Cyclopentad iene
Cyclopentene
Decane
Decene
Diisopropylethane
Dicyclopentadiene
Dime thy Ibutane
Hexane
Heptane
Methylcyclohexane
Methylcyclopentane
Methylpentane
Nonane
Octane
Frequency of Occurrence
at Given Concentration^)
* ** ***
8 2
1
1
3 1
2
5 1
3 1
2
1
1 1
1
1
3
3
3
1
2
1
1
4
1 1
4
2
9
2 1
1
1
9 1
12
4
1
Total
10
1
1
4
2
6
4
2
1
2
1
1
3
3
3
1
2
1
1
4
2
4
2
9
3
1
1
10
12
4
1
41
-------
Table 8. (Continued)
Compound
Octene
Pentane
Pentene
Propene
Trimethylpentene
Tetramethylcyclopropane
Undecane
Vinylcyclohexene
Aromatic
Benzene (a)
Biphenyl
C2-Alkylbenzene (a, if ethylbenzene)
C_-Alkylbenzene
C.-Alkylbenzene
C^-Alkylbenzene
Divinylbenzene
Ethylbenzene (a)
Indene
Methyls tyrene
Naphthalene (a)
Styrene
C2-Alkyls tyrene
Toluene (a)
e-Xylene
m-Xylene
p-Xylene
Halo-Compounds
Aliphatic
•Bromodichloromethane (a)
Bromoform (a)
Carbon tetrachloride (a)
Chlorobutane
Frequency of Occurrence
at Given Concentration^
* ** ***
1
1
1
1
2
2 1
1
3
23 5 1
1
19 4 2
11 6
821
211
1
2
1
411
3 1
1
3 1
29 7 5
3
2
2
10 4
2
3 3
1
Total
1
1
1
1
2
3
1
3
29
1
25
17
11
4
1
2
1
6
4
1
4
41
3
2
2
14
2
6
1
-------
Table 8. (Continued)
Compound
Chlorobutene
Chloroethane (a)
Chloroform (a)
Chloroprene
Chloropropane
Chloropropene
Dibromochloromethane
Dibromoe thane
1,1-Dibromoethane
Dibromomethane
DichlorobuCane
2 ,3-Dichlorobutane
Dichlorobutene
Dichlorocyclooctadiene
Dichloroethane (a)
Dichloroethylene (a)
Dichlorome thane (a)
Dichloromethylenepropane
Dichlor ome thy Ipr o pane
Dichloropropane (a)
Dichloropropene
Ethyl chloride
Fluorotrichloromethane
Tetrachloroethene (a)
1,1,2,2-Tetrachloroethane (a)
Irichloroethane (a)
1,1,1-Trichloroethane (a)
Trichloroethylene (a)
Trlchlorofluor ome thane (a)
1,2, 2-Tr ichloropropane
Trichloro tr if luor oe thane
Aromatic
Benzotrifluoride
Chlorobenzene (a)
Chloroethylbenzene
Frequency of Occurrence
at Given Concentration(b)
*
2
2
25
1
1
2
6
1
1
1
1
13
18
24
1
9
1
1
6
4
5
31
11
2
1
1
1
2
1
** ***
1
15 2
1
2
1
1
1
2
4
27 5
1
3
1
1
5
3
1
3 1
Total
3
2
42
2
1
2
8
1
1
1
1
1
1
1
15
22
56
1
1
12
1
1
1
6
5
5
36
14
3
1
1
1
6
1
43
-------
Table 8. (Continued)
Compound
Chloro toluene
Dichlorobenzene (a)
Trichlorobenzene (a)
Alcohols, Aldehydes and Ketones
Aliphatic
Acetone
2-Butene-l-ol
Butyl ketone
Butyraldehyde
Crotonaldehyde
Ethylbutyraldehyde
2-Ethyl-l-hexanol
Hexanone
Heptanone
Isobutyraldehyde
Isopropyl alcohol
Methylbutyraldehyde
Methylcyclopentanone
Methylethyl ketone
Methylheptanone
Methylisobutyl ketone
Methyl is opropyl ketone
Methylpentanone
Methylpropenal
Methyl-t-butyl ketone
Nonone
2-Pentanone
3-Pentanone
Ethers and Esters
Aliphatic
Butyl acetate
Butyl ether
Di-sec-butoxyethane
Frequency of Occurrence
at Given Concentration(b)
* ** *** Total
11 2
6 A 1 11
1 1
5 12 10 27
1 1
2 2
11 2
1 1
1 1
1 1
1 1
2 2
1 1
1 23
1 1
1 1
9 2 11
1 1
3 3
1 1
11 2
1 1
1 1
1 1
1 1
2 2
1 1
1 1
1 1
-------
Table 8. (Continued)
Compound
Diethyl ether
Dihydrofuran
Diisopropyl ether
Dimethyl ether
1,4-Dioxane
2-Ethyl-l ,3-dioxolane
Ethylisopropyl ether
Furan
Methyl-1 , 3-dioxolane
Methylethyl-l,3-dioxolane
Tetrahydrofuran
Vinyl formate
Aromatic
Diphenyl ether
Sulfur Compounds
Carbon disulfide
Carbonyl sulfide
Diethyl disulfide
Diethyl sulfide
Dimethyl disulfide
Dimethyldithiahexane
Dimethyl sulfide
Dimethyl thiacyclopentane
Dithiahexane
Ethane thiol
Ethyl mercaptan
Ethyl-1-methylethyl disulfide
Methylethyl sulfide
Methylpropyl sulfide
Methylthiacyclohexane
Methyl thiacyclopentane
Methylthiaethylbenzene
Frequency of Occurrence
at Given Concentration^3)
* ** *** Total
621 9
1 1
6 3 1 10
2 2
1 1
1 1
1 1
1 1
1 1
1 1
11 11 13
1 1
1 1
62 8
1 1
1 1
1 1
21 3
1 1
2 13
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
45
-------
Table 8. (Continued)
Compound
(a)
(a) Priority pollutant.
(b) Compound concentration levels:
Frequency of Occurrence
at Given Concentration^)
* ** *** Total
3-Methyl-2-thiapentane
Thiacyclopentane
Miscellaneous Compounds
N-N-Dimethylformamide
Me'thoxytrimethylsilane
Oxazole
Trimethylsilanol
1
1
1
1
1
1
1
1
1
1
1
1
* - <10 Wg/1
** - 10-100 wg/1
*** . >1QO yg/1
The effluent samples analyzed for purgeable components ranged in com-
plexity from those as clean as drinking water to some that were quite smelly
and containing compounds with concentrations in the mg/1 range. The most
polluted samples (number and amount of compounds) were from paint companies.
Generally, most volatile compounds were found in the 10-100 yg/1 range. The
159 compounds are classified in Table 9.
These compounds range in volatility from chloroethane (b.p. = 12.3°C)
to trichlorobenzene (b.p. = 213.5°C), which was also identified in the semi-
volatile fractions.. In some cases, such as C^-alkylbenzenes, many isomers
of the same generic compounds were identified but were classified as one
compound in Tables 8 and 9.
Twenty-two purgeable priority pollutants were identified and they
occurred 359 times, 51% of the total number of occurrences of volatile com-
pounds. Thirteen priority pollutants occurred in more than 10% of the total
samples while only methylene chloride, chloroform, toluene and 1,1,1-tri-
chloroethane occurred in more than half the samples.
TENTATIVE IDENTIFICATION OF NEUTRAL COMPOUNDS
The GC/MS analysis of 33 industrial effluents for neutral semivolatile
compounds resulted in the tentative identification of 261 compounds listed in
Table 10. Generally, the neutral fractions contained more compounds than
either the acidic or basic fractions. Concentration levels were usually
in the 10-100 Mg/1 range but numerous compounds were found in greater than
100 yg/1 concentrations. In many cases, the large number and/or high con-
centration of compounds resulted in coeluting peaks. Consequently, the
46
-------
TABLE 9. CLASSIFICATION OF IDENTIFIED PURGEABLE COMPOUNDS
Priority Pollutants
Total No. Total No. of No. No. of
Compound Type Identified Occurrences Identified Occurrences
Hydrocarbons
Aliphatic 39 115 0 0
Aromatic 17 154 4 101
Halogenated Compounds
Aliphatic 35 271 15 240
Aromatic 6 22 3 18
Alcohols, Aldehydes & Ketones
Aliphatic 23 68 00
Ethers and Esters
Aliphatic
Aromatic
Sulfur Compounds
Miscellaneous Compounds
TOTAL
15
1
19
4
159
45
1
30
4
710
0
0
0
0
22
0
0
0
0
359
mass spectra were mixtures of two or more compounds. In many of these
cases, only general identifications could be made, if at all. Tables found
in the Appendix list the neutral semivolatile compounds tentatively identified
in each of the 39 priority rated neutral fractions (33 effluents, 6 intakes).
The 261 neutral compounds are classified in Table 11.
Hydrocarbons and halocarbons accounted for about 51% of the compounds
while 30% were aromatic compounds. Alkylbenzenes, particularly C2~
alkylbenzenes, occurred the most frequently. Eleven priority pollutants
were identified and occurred collectively 46 times, 10% of the 474 total
occurrences of neutral compounds.
General patterns concerning the type of industry versus compounds in
effluents could not be distinguished in this project due to the limited
number of samples. However, some interesting compounds were found, such as:
N-methyl-N-nitrosomethanaminobenzene, iodochlorocyclohexane, and substituted
benzofuranones.
47
-------
Table 10. Neutral compounds tentatively identified
in 33 industrial effluents
COMPOUND3
Straight or Branched Chain Compounds
Hydrocarbons
Heptane
Alkane C 18
Alkane C 19
Decane
Branched Hydrocarbon
Undecane
Alkane C 111
Dodecane
Alkane C 112
Tridecane
Alkane C 113
Tetradecane
Alkane C 114
Pentadecane
Alkane C 115
Hexadecane
Alkane C 116
Heptadecane
Alkane C 117
Octadecane
Alkane C 118
Nonadecane
Alkane C 119
Eicosane
Heneicosane
Alkane C 121
Docosane
Trlcosane
Branched Hydrocarbon C 123
Tetracosane
SAMPLE N0.b
31E
31E
31E
S4E
IE
54E
12E
26E
12E
54E
54E
29E
29E
29E
54E
54E
25E
29E
54E
25E
29E
25E
26E
4E
26E
29E
26E
26E
IE
IE
Frequency of
Occurrence at Given
Concentration0
*
1
2
2
4
1
1
1
1
2
1
2
1
1
3
2
1
1
1
1
1
**
1
1
3
1
1
1
1
1
1
1
2
1
1
2
2
1
2
3
2
2
3
1
1
1
1
***
1
1
1
1
2
1
1
2
1
1
1
1
TOTAL
1
2
4
5
1
5
2
2
2
2
4
3
4
4
1
4
3
6
3
2
2
4
2
3
4
2
1
1
1
1
48
-------
Table 10. (Continued)
COMPOUND*
Alkane C >_ 24
Pentacosane
Alkane C >_ 25
Hexacosane
Heptacosane
Octacosane
Nonacosane
Nonene
Methyloctene
Decene
Methylnonene
Alkene C >. 11
Dodecene
Alkene C 1 12
Alkene C >. 13
Tetradecene
l-Propene-2-methyl trimer
Alkene C >. 15
Hexadecene
Alkene C >. 17
Octadecene
Alkene C >_ 19
Elcosene
l-Propene-2-methyl tetramer
Alkene C ^ 20
Alkene C >. 22
Alkene C >. 23
Alkene C >. 27
Alkene C >. 29
Dlmethyldecene
SAMPLE N0.b
58E
40E
26E
26E
26E
26E
26E
33E
29E
29E
33E
25E
29E
31E
26E
29E
34E
29E
29E
29E
29E
29E
29E
34E
29E
29E
29E
29E
29E
29E
Frequency of
Occurrence at Given
Concentration0
* ** ***
1
2
1
1
2
1
1
1
1
1
1
1
1
1 1
1
2
1
1
1
1
1
1
1
1
1
1
1
1
1
1
TOTAL
1
2
1
1
2
1
1
1
1
1
1
1
i
2
1
2
1
1
1
1
1
1
1
1
1
1
1
1
1
1
49
-------
Table 10. (Continued)
COMPOUND*
Halocarbons
1 , 3-Butadiene , 2-chloro-dimer
C4H6C12
Chloroalkene
Chlorohydrocarbon
Dlchlorobutene
Dichloropropene
Halo-alkane
Halo-alkene
lodoheptane
Tetrachloroethane
Alcohols
Alkyl alcohol
Alkyl alcohol C >_ 8
Alkyl alcohol C ^ 9
Alkyl alcohol C >_ 11
Alkyl alcohol C >_ 12
Dimethylpentanol
Docosanol
Eicosanol
Heptadecanol
Hexenol
Methylheptanol
Octanol
Propylheptanol
SAMPLE N0.b
34E
45E
45E
58E
45E
35E
4E
21E
49E
60E
31E
31E
22E
25E
22E
35E
29E
8E
35E
21E
31E
29E
29E
Frequency of
Occurrence at Given
Concentration0
* ** ***
1
1
1
1
1
1
1
1
1
1
5
1
3
1 1
12 1
1 1
1
1
1
1
1
1
1
TOTAL
1
1
1
1
1
1
1
1
1
1
5
1
3
2
4
2
1
1
1
1
1
1
1
50
-------
Table 10. (Continued)
COMPOUND* SAMPLE N0.b
Ethers
Alkyl ether
Alkenyl ether
2-Butoxyethanol
n-Butyl ether
Ethanol,2-(l-(2-butyaxy ethoxy)
Ethanol,l-(2-butoxy ethoxy)
Hexexy butanol
2-Propanol , 1- (2-methoxy-l-l
methyl ethoxy)
2-Propanol , 1- ( 2-me thoxy-l-
methyl ethoxy)-isomer
Ketones
Alkyl diketone
Alkyl ketone C > 7
Alkyl ketone C > 10
Alkyl ketone C > 11
Alkyl ketone C > 27
Dimethylpentanone
Heptanone
Isophorone
Methyl hexanone
Methyl pentanone
4-Qctanone
Aldehydes
Aldehyde C0H,,0
o lo
Methylpentanal
33E
33E
30E
7E
7E
45E
15E
50E
50E
7E
22E
34E
22E
22E
28E
6E
7E
22E
45E
8E
35E
21E
Frequency of
Occurrence at Given
Concentration0
* ** *** TOTAL
2 2
1 1
14 5
1 1
1 1
1 1
1 1
1 1
1 1
1 1
11 2
1 1
1 1
1 1
2 2
2 2
2 2
1 1
1 1
1 1
1 1
1 1
51
-------
Table 10. (Continued)
COMPOUND*
Esters
Acetic acid C ^ 8 ester
Acetic acid C >_ 9 ester
Butyl acetate
Propanoic acid-2-methyl propyl
Cyclic Nonaromatic Compounds
Hydrocarbons
Alkylcyclohexane
Alkylcyclohexene
l,l'-Bicyclohexyl, ethyl
Methylcyclohexane
Halocarbons
Bromochlorocyclohexane
Chlorocyclohexane
Chlorocyclohexene
l-Chloro-5-(l-chloroethenyl)
cyclohexene
Dibromocyclohexane
Dibromocyclohexene
Dichlorocyclohexane
Halo-cyclohexane
lodochlorlcyclohexane
Subst. iodocyclohexane
Alcohols
Bromocyclohexanol
C.-Alkylcyclohexanol
SAMPLE N0.b
34E
34E
26E
28E
9E
49E
49E
49E
21E
49E
15E
34E
5E
15E
15E
77E
49E
49E
15E
22E
Frequency of
Occurrence at Given
Concentration0
* ** *** TOTAL
1 1
1 1
1 1
1 1
2 2
1 1
1 1
1 12
232 7
1 1
14 5
1 1
4 4
1 1
134
1 1
1 1
1 1
241 7
2 2
52
-------
Table 10. (Continued)
COMPOUND8
Chlorocyclohexanol
Cyclohexenol
Methylcyclohexanol
Ethers
Bromome thoxy cy c lohexane
Oxyb isyclo [4 , 1 , 0 ] hep tane
Ketones
Alkylcyclohexanone
C,-Cyclohexad ienone
C_-Cyc 1 ohexenone
Chlorocyclohexanone
Methylcyclohexanone
Methylcyclohexenone
SAMPLE N0.b
15E
15E
22E
15E
15E
33E
33E
33E
9E
22E
35E
Frequency of
Occurrence at Given
Concentration0
* ** ***
24 2
2
1
2
1
1
1
1
1
1
1 1
TOTAL
8
2
1
2
1
1
1
1
1
1
2
Esters
Subst. cyclohexene carboxylic
acid methyl ester
40
Aromatic Compounds
Hydrocarbons
Alkyl benzene
Alkyl indene
Alkyl naphthalene
Alkyl tetrahydronaphthalene
l.l'-Biphenyl
C_-Alkylbenzene
C,-Alkylbenzene
C5-Alkylbenzene
C,-Alkylbenzene
7E
33E
12E
45E
14E
26E
26E
25E
35E
3
2
1
1
1
1
1
1
3
6
3
1
1
1
3
2
1
2
3
1
3
1
7
9
5
4
1
53
-------
Table 10. (Continued)
COMPOUND3 SAMPLE N0.b
C2-l,l'-Biphenyl
C.-Alkyldihydro indene
C2-Alkyldihydronaphthalene
C_-Alkylstyrene
C _-Alkyny Ibenz ene
C.-Alkylstyrene
C2-Phenanthrene
CL-Phenanthrene
Dihydrodimethylindene
Dihydronaphthalene
Dimethylnaphthalene
Ethylbenzene (a)
Ethyl styr ene
Indene
lH-Indene-l-ethyl-2 , 3-dihydro
Methyl-l.l'-biphenyl
Methyl indene
Methylnaphthalene
Methyl phenanthrene
Methylstyrene
Methyltetrahydronaphthalene
Naphthalene (a)
Styr ene
Subst.-alkylbenzene
Subst. -benzene
Subst. -benzene isomer
Subst. styrene
Tetrahydrodimethylnaphthalene
1,2,3,4-Tetrahydronaphthalene
Toluene (a)
Xylene
25E
4E
12E
35E
35E
25E
IE
IE
32E
60E
54E
26E
30E
32E
25E
25E
32E
26E
IE
26E
35E
26E
31E
32E
31E
31E
31E
32E
7E
14E
28fc
Frequency of
Occurrence at Given
Concentration0
* ** ***
1
1
1
2
1
2
1
1
1
3
1
26 2
1 1
1
1
1
2
4 1
1
2
1
33 1
1
1
1
1
1
1
1
2 6
15 I
TOTAL
1
1
1
2
1
2
1
1
1
3
1
10
2
1
1
1
2
5
1
2
1
7
1
1
1
1
1
1
1
8
8
-------
Table 10. (Continued)
COMPOUND8
Halocarbons
Bromonaphthal ene
Chlorobenzene (a)
Chloromethylbenzene
1 , 2-Dichlorobenzene (a)
1 , 3-Dichlorobenzene (a)
1 ,4-Dichlorobenzene (a)
Dichloromethylbenzene
Tetrachlorobenzene
1,2,4-Trichlorobenzene (a)
Tribromoethylbenzene
Alcohols
Tetrahydromethylnaphthalenol
Ethylbenzenemethanol
1-Methyl-l-phenylethanol
l,4-Methanonaphthalen-9-ol,l,4-
dihydro
1-Phenylpropanol
Tetrahydromethylnaphthalenol
Ethers
Benzene ,1,1' -Oxybis (4-me thyl)
1,1' -Biphenyl , 2-phenoxy
Dlphenyl ether
Methoxy-C -benzene
SAMPLE N0.b
49E
49E
60E
7E
7E
7E
60E
60E
60E
12E
6E
28E
14E
15E
12E
45E
7E
28E
29E
Frequency of
Occurrence at Given
Concentration0
* ** *** TOTAL
1 1
22 4
1 1
2 2
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
123
1 1
11 2
1 1
1 1
1 1
2 35
1 1
55
-------
Table 10. (Continued)
COMPOUND* SAMPLE N0.b
Ke tones
Acetophenone
Alkylaromatic ketone
Alkyl-naphthalenone
Dihydr o ind enone
Dihydro-lH-Inden-1-one
o-Methoxypropylphenone
1-Phenylpropanone
2-Propanone , 4-me thyl-4-phenyl
1,2,3, 4-Tetrahydronaphthalen-l-one
Aldehydes
Benzaldehyde
Ethanone,l-[4-(l-methylethyl)
phenyl
Ethanone , 1- ( 2 , 4-dime thylpheny 1 )
Esters
Benzole acld,2-propenyl ester
Benzene met Hanoi, methoxy acetate
Bls(2-ethylhexyl) phthalate (a)
Butylbenzyl phthalate (a)
Di-2-propenyl phthalate
Dibutyl phthalate (a)
Diethyl phthalate
Phthalate
45E
8E
4E
35E
35E
45E
15E
7E
7E
9E
25E
4E
45E
58E
50E
26E
45E
14E
40E
45E
Frequency of
Occurrence at Given
Concentration0
*
2
1
1
1
1
1
1
1
2
1
5
1
5
** ***
1
2 1
1
1
1 1
1
1
1
1
1
1
2
1
1
1
TOTAL
3
1
1
4
1
1
3
1
1
2
1
1
1
1
3
3
1
6
2
5
Sulfur Compounds
Benzene-l.l'-sulfonyl bis-
Benzene.l.l'-sulfonyl bis[4-
chloro-j
63E
63E
1
1
56
-------
Table 10. (Continued)
COMPOUND* SAMPLE N0.b
N-Dimethylbenzene sulfonamide
2,3-Dithiahexane
3,4-Dithiahexane
Methyl,4-chlorophenyl sulfone
Methyldithiahexane
Nonanethiol
Nitrogen Compounds
Benzene methanamino.N-methyl,
N-nitroso
N,N-Dimethylacetamide
Nitroaniline
Nitrobenzene
Nltrocyclohexene
Phosphorus Compounds
Phosphordlthloic acid, 0,0-
dimethyl-S-ethyl ester
Subst. Phosphate
Trialkylphenyl phosphate
Tributyl phosphate
Tricresyl phosphate
Triphenylester, phosphoric acid
Trixylyl phosphate
Trioctyl phosphate
14E
25E
25E
63E
25E
33E
50E
14E
50E
51E
51E
45E
7E
7E
5E
7E
7E
7E
IE
Frequency of
Occurrence at Given
Concentration0
* ** ***
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1 1
1
1
1
1
TOTAL
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
1
1
1
1
Silicon Compounds
Silicone
Hetrocyclic Compounds
Alkylphenol C > 15
22E
57
-------
Table 10. (Continued)
COMPOUND* SAMPLE NO.
3(2H)Benzofuranone, Dimethyl
3(2H)Benzofuranone, Methyl
1,2, 3-Benzothiadiazole
Dibenzofuran
Dihydromethylfuranone
Dimethylbenzofuran
1 , 3-Dioxolane , 2- (chloromethy 1)
Methylbenzothiazole
2-Propenal-3(2-furanyl)
1 , 2-Benzisothiazol , 3-ethoxy ,1,1-
dioxide
Tetrahydrothiaphene.l.l-dioxide
Subst. benzofuranone
Miscellaneous Compounds
Alkylphenol C >. 15
Alkylphenol C >_ 16
2,4-Bis(l-methylethyl) phenol
2 , 4-Bis (1-mathylbutyl) phenol
2,4-Bis(l-methylethyl) phenol
C,-Alkylphenol
C4-N,N-Subst. aniline
Chloroalkyl subst. phenol
Subst. phenol
45E
25E
12E
14E
60E
35E
50E
60E
45E
45E
32E
45E
22E
22E
7E
50E
7E
45E
29E
50E
7E
Frequency of
Occurrence at Given
Concentration0
* ** *** TOTAL
1 1
3 3
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
1 1
(a) Priority pollutant
(b) Representative sample in which compound was identified (see Appendix A)
(c) Compound Concentration Levels: * * <^ V8/1
** - 10-100 yg/1
*** - >1QO yg/1
58
-------
Table 11. Classification of Compounds Identified in Neutral Fractions
Total No.
Compound Type Identified
Straight or Branched
Chain Compounds
Hydrocarbons
Halogenated compounds
Alcohols
Ethers
Ke tones
Aldehydes
Esters
Cyclic Non-aromatic Compounds
Hydrocarbons
Halogenated compounds
Alcohols
Ethers
Ke tones
Esters
Aromatic Compounds
Hydrocarbons
Halocarbons
Alcohols
Ethers
Ketones
Aldehydes
Esters
Sulfur Compounds
Nitrogen Compounds
Phosphorous Compounds
Silicon Compounds
Heterocyclic Compounds
Miscellaneous Compounds
TOTAL
60
10
13
9
11
2
4
4
10
5
2
6
1
40
10
6
4
9
3
8
8
5
8
1
13
9
261
Priority Pollutants
Total No. of
Occurrences
115
10
24
14
15
2
4
6
26
20
3
7
1
105
14
9
8
16
4
22
8
5
9
3
15
9
474
No.
Identified
0
0
0
0
0
0
0
0
0
0
0
0
0
3
5
0
0
0
0
3
0
0
0
0
0
0
11
No. of
Occurrences
0
0
0
0
0
0
0
0
0
0
0
0
0
25
9
0
0
0
0
12
0
0
0
0
0
0
46
59
-------
Table 12. Acidic Compounds Tentatively Identified
in 26 Industrial Effluents
Frequency of
Occurrence at Given
COMPOUND*
Aliphatic Acids
Alkenoic Acid C >_ 18
Alkenoic acid (branched)
Acetoxyhexanoic acid
Benzeneacetic acid
Benzenepropanoic acid
C^-Alkylphenylpropanoic acid
Dimethylbutanoic acid
Dimethylphenylpropanoic acid
Fatty acids
3-Methylpentanoic acid
Hexanoic acid
C >_6
Heptanoic acid
C i7
Octanoic acid
C > 8
Nonanoic acid
0^9
Decanoic acid
C ^10
Dodecanoic acid
C >_ll
C >_ 12
C >.13
Tetradecanoic acid
C >. 14
Pentadecanolc acid
b —
SAMPLE NO. *
9E 1
35E
53E
53E
35E
35E 1
35E
35E
62E
31E 1
26E
31E 3
26E
31E 2
26E
31E 1
26E
31E 2
26E 3
29E
43E 2
62E 1
26E 6
35E 2
53E 2
Concentration0
** ***
1
1
3
1
1
1
2
1
7 1
1
3 1
3
1 2
1
1 1
1
2
4
1
5
3
1
TOTAL
•"
1
1
1
3
1
1
1
1
2
1
9
1
7
3
5
1
3
1
4
7
1
2
1
11
5
3
60
-------
Table 12. (Continued)
COMPOUND*
C >_ 15
Hexadecanoic acid
C >- 16
Heptadecanoic acid
C >.17
Octadecanoic acid
C ^18
C >.19
Eicosanoic acid
C > 20
C >_21
C >_22
C >_23
C >_2A
Methylcyclohexene-1-carboxylic
acid
Methylphenylpropanoic acid
Octadecadienoic acid
Octadecenoic acid
Subst. cyclohexane acid
Aromatic Acids
Alkylbenzoic acid
Benzenedicarboxylic acid
Benzoic acid
C.-Alkyloctahydrophenanthrene
carboxylic acid
Dimethylbenzoic acid
Ethenylbenzoic acid
Methylbenzoic acid
Octahydro-l,A-dimethyl-l-
SAMPLE NO.
18E
29E
18E
56E
56E
26E
31E
53E
9E
40E
AOE
AOE
AOE
AOE
22E
35E
26E
26E
2E
35E
50E
28E
58E
35E
35E
26E
52E
Frequency of
Occurrence at Given
Concentration0
*
5
3
1
A
5
5
1
1
1
1
1
1
2
1
2
** ***
3
7 2
A
3
3
5 1
2
1
1
1
1
2
1
2 1
2 2
2
1
8 1
2
1
1
3
1
TOTAL
8
9
7
1
7
8
1
1
1
3
2
2
1
1
2
1
A
6
1
2
1
11
2
1
1
3
1
(me thyle thy1)phenanthrene
carboxylic acid
61
-------
Table 12. (Continued)
COMPOUND*
Octahydrodimethylphenanthrene
carboxylic acid
Subst. phenanthrene carboxylic
Subst. benzole acid
Triraethylbenzoic acid
Haloaliphatic Acids
Chloro-fatty acid
Halo-acid
Haloaromatic Acids
Chlorobenzoic acid
Chloroalkylbenzoic acid
Dichlorobenzoic acid
Alkylphenols
Alkylphenol
Benzene [ (dihydroxy) methyl]
Benzene , l-hydroxy-2- [ (4-
hydroxyphenyl) ]
C.-Alkylphenol
C.-Alkylphenol
C^-Alkylphenol
C^-Alkenylphenol
Dimethylphenol (a)
Isomer of phenol 2-[(4-hydroxy-
phenyl) methyl]
SAMPLE N0.b
22E
acid 31E
12E
26E
9E
9E
60E
12E
60E
34E
58E
58E
44E
44E
44E
44E
43E
58E
Frequency of
Occurrence at Given
Concent ra t ionc
* ** *** TOTAL
1 1
3 3
1 1 2
2 2
1 1
1 1
2 2
1 1
2 2
1 1
1 1
1 1
1 1
1 1
1 2 3
1 1
4 4
1 1
62
-------
Table 12. (Continued)
COMPOUND* SAMPLE N0.b
Methylallylphenol
Methylphenol
Nonylphenol
Phenol (a)
Phenol , 2 , 6- [ 4- (hydroxyphenyl)
dimethyl]
Phenol,2-[4-(hydroxyphenyl)methyl]
Halophenols
Br omome thy Ipheno 1
Bromophenol
Chloroalkylphenol
Chlorobromosubst . -phenol
Chlorophenol(a)
Chloromethylphenol(a)
Dlchlorophenol(a)
Trichlorophenol (a)
Benzenesulfonic Acid Derivatives
Benzenesulfonic acid-4-hydro-
cyhydrazide
Benzenesulfoniaraide,N,4-dimethyl
p-Toluenesulfonamide
Subst.-benzenesulfonic acid
Heterocyclic Compounds
Benzothiadiazole
Methoxy-1 , 2-benzo thiazole
Methoxythiiobenzothiazole
Subst . -benzisothiazole
44E
29E
22E
60E
52E
52E
53E
52E
53E
58E
52E
57E
58E
50E
34E
52E
9E
34E
12E
60E
60E
60E
Frequency of
Occurrence at Given
Concentration0
* ** ***
1
15 3
1
5 7
2
1 1
3
1 4
1
1
3 4
1 2
3
1 2
1
2 2
3
1
1
1
1
1
TOTAL
1
9
1
12
2
2
3
5
1
1
7
3
3
3
1
4
3
1
1
1
1
1
63
-------
Table 12. (Continued)
COMPOUND*
Miscellaneous Compounds
Allylthiopropanoic acid
Dihydroxybenzaldehyde
Dimethylhydroxybenaldehyde
Hydroxybenzoic acid
i
Hydroxybenzeneacetic acid
Hydroxytrimethylbenzoic acid
Hydroxymethylbenzoic acid
Indolinecarboraldehyde ,
hydroxymethyl
Oxiraneoctanoic acid,2-octyl
Octadecanoic acid,9,10-dihydroxy
Thienopyridine
SAMPLE N0.b
35E
58E
18E
32E
50E
50E
35E
18E
9E
9E
60E
Frequency of
Occurrence at Given
Concentration0
* ** *** TOTAL
1 1
1 1
1 1
2 2
1 1
1 1
1 1
1 i
1 1
1 1
1 1
(a) Priority Pollutant
(b) Representative sample in which compound was identified (see Appendix A)
(c) Compound Concentration Levels: * - <10 ug/1
10-100 pg/1
>100 yg/1
**
***
TENTATIVE IDENTIFICATION OF ACIDIC COMPOUNDS
The GC/MS analysis of 26 industrial effluents for acidic semivolatile
compounds resulted in the tentative identification of 104 compounds. The
compounds listed in Table 12 are names as the parent compound, although
methylation with diazomethane meant that certain acidic compounds were
actually identified as methyl esters and/or methyl ethers.
Because mass spectra of many of these methylated compounds were not
included in accessible data bases the number of tentative identifications
in the acidic fractions was limited. Tables in the Appendix list the
acidic1 semivolatile compounds tentatively identified in each of the 29
priority rated acidic fractions (26 effluents, 3 intakes).
The acidic fractions of the 26 effluent samples analyzed were generally
less complex than the neutral fractions but contained more components than
the basic fractions. Most acidic compounds were found with concentrations
64
-------
of 10-100 yg/1. No particular type of company had effluents which could be
distinguished from one another on the basis of their acidic compound content
(concentration and number of compounds). The 104 acidic compounds are
classified in Table 13.
Not surprisingly, aliphatic acids were the most numerous compounds
followed by alkylphenols and aromatic acids. Six priority pollutants were
identified - phenol (12 times), chlorophenol (7 times), dichlorophenol (3
times), trichlorophenol (3 times), dimethylphenol (4 times) and chloro-
methylphenol (3 times). Fifty-six compounds occurred only once, while
phenol and benzoic acid occurred 12 and 11 times respectively.. The acidic
compounds occurred a total of 272 times while priority pollutants accounted
for only 32 occurrences, about 12% of the total number of occurrences.
TENTATIVE IDENTIFICATION OF BASIC COMPOUNDS
The analysis of 21 industrial effluents for basic semivolatile compounds
resulted in the tentative identification of 49 compounds listed in Table 14.
Tables found in the Appendix list the basic compounds tentatively identified
in each of the 21 effluent samples.
TABLE 13. CLASSIFICATION OF COMPOUNDS IDENTIFIED IN ACID FRACTIONS
Priority Pollutants
Total No. Total No. of No. No. of
Compound Type Identified Occurrences Identified Occurrences
acids
icids
latic acids
itic acids
>ls
Ls
45
12
2
3
15
8
143
30
2
5
41
26
0
0
0
0
2
4
0
0
0
0
16
16
Alkylphenols
Halophenols
Benzenesulfonic acid
derivatives 4 9 Q Q
Heterocyclic compounds 4 4 Q Q
Miscellaneous compounds 11 12 0 0
TOTAL 104 272 6 32
65
-------
Generally, the basic compounds found in the effluent samples were
present in smaller numbers and lower concentration (<10 yg/1) compared to the
neutral and acidic compounds. Steel companies, as a group, had effluents
with the highest number of basic compounds, and in some cases, the basic
compounds were the most concentrated components in the sample. It should be
noted that all the basic compounds present in the effluent extracts probably
did not elute from the SE-30 capillary column. This result was expected
future analyses should use a more suitable column for basic components.
The 49 basic compounds are classified in Table 15.
The basic compounds occurred a total of 70 times while no priority
pollutants were identified. Methyl pyridine occurred most frequently (8
times) while 39 of the 49 compounds occurred only once. The heterocyclic
compounds would appear to be the most interesting group of compounds both
in biological activity and environmental significance.
SUMMARY OF IDENTIFIED COMPOUNDS IN INDUSTRIAL EFFLUENT SURVEY
During the course of this industrial effluent survey many different
types of data have been generated. Correlation of these different data
types can be done in a number of ways depending upon one's perspective and
interests. Table 16 correlates the number of identified compounds with
various other parameters. This representation may be useful in determinating
the environmental significance of compounds found in industrial effluents
66
-------
Table 14. Basic Compounds Tentatively Identified
in 21 Industrial Effluents
COMPOUND8
Aliphatic Amines
Alkyl amine
Cyclohexyl amine
Hexame thy lene t e t ramine
N-Butyl-1-butamine
N-Butyl ,N-methyl-l-butamine
N-Phenylmethyleneheptamine
Aromatic Amines
Diethylaniline
Dimethylaniline
Methylaniline
N-Ethyl-o- toluid ine
N,N-Diethylaniline
Pen tame thylaminobenz ene
Heterocyclic Compounds
Alkylaziridine (C-H^N)
o 17
Benzo[c]methylcinnoline
C_-Alkylpyridine
C, -Alky Ip iper id ine
C,-Alkylpyridine
C -Alkylpyridine
C -Alkylquinoline
SAMPLE N0.b
22E
52E
56E
62E
62E
22E
29E
30E
50E
29E
54E
45E
22E
18E
54E
45E
33E
33E
34E
Frequency of
Occurrence at Given
Concent rationc
* ** *** TOTAL
11 2
1 1
1 1
1 1
11 2
1 1
1 1
23 5
111 3
1 1
1 1
1 1
1 1
1 1
2 2
1 1
2 1 3
1 1
1 1
67
-------
Table 14. (Continued)
COMPOUND*
C.-Benzimidazole
Dimethylbenzimidazo] e
2,6-Dimethyl-4-ethylpyridine
Dimethylnaphthyridine
Dimethylquinoline
Imidazolidine,C2-alkylphenyl
Imidazolidine , C -alkylphenyl
Isoquinoline
Methylbenzimidazole
3-Methylcinnoline
Methyl isoquinol ine
Methylnaph thyr id ine
Methylpyridine
1 , 6-Naphthrydine
Phenanthroline
Phenothiazine
Pyridine,3-(l-Methyl-2-pyrrolidinyl)
Pyrrolo(2,3,8-pyridine, dimethyl
Quinoline
Trimethylpiperidine
Trimethylpyridine (2 isomers)
Miscellaneous Compounds
Cyanopyridine
2-Diethylaminoethanol
5-Hexen-3yn-2-one , 6- (1-piperidinyl)
Hydroxymethylimidazole
SAMPLE N0.b
18E
18E
33E
18E
32E
49E
49E
18E
18E
18E
18E
18E
18E
18E
18E
34E
54E
18E
53E
45E
33E
22E
52E
52E
52E
Frequency of
Occurrence at Given
Concentration0
* ** ***
1
1
1
1
1
1
1
1
1
2
1
1
5 3
1
1
1
1
1
1 1
1
1
1
1
1
1
TOTAL
1
1
1
1
1
1
1
1
1
2
1
1
8
1
1
1
1
1
2
1
1
1
1
1
1
68
-------
Table 14. (Continued)
COMPOUND8
2-Methoxyaniline
Methoxyaniline
3-Methyl-5-ethoxypyrazole
2-Propen-l-amine,N,N-di-2-propenyl
l,3,5-Triazine-2,4-diamine,6-(3-methyl-
phenyl
SAMPLE NO.
50E
45E
50E
34E
34E
Frequency of
Occurrence at Given
Concent ra t ionc
* ** *** TOTAL
1 1
2 2
1 1
1 1
1 1
(a) Priority Pollutant
(b) Representative sample in which compound was identified (see Appendix A)
(c) Compound concentration levels:
* - <10 wg/1
** - 10-100 ug/1
*** . >ioo ug/1
TABLE 15. CLASSIFICATION OF COMPOUNDS IDENTIFIED IN BASIC FRACTIONS
Compound Type
Aliphatic amines
Aromatic amines
Heterocyclic compounds
Miscellaneous compounds
TOTAL
Total No.
Identified
6
6
28
9
49
Total No. of
Occurrences
8
12
40
10
70
Priority
No.
Identified
0
0
0
0
0
Pollutants
No. of
Occurrences
0
0
0
0
0
69
-------
TABLE 16. SUMMARY OF IDENTIFIED COMPOUNDS IN INDUSTRIAL EFFLUENT SURVEY
No. of
Effluents
Sample Type Analyzed
Purged Effluent 63
Extract-neutral 33
fraction
Extract-acid 26
fraction
Extract-basic 21
fraction
TOTAL
No. of
Compounds
Identified
159
261
104
49
573(a)
Total No. of
Occurrences
710
474
272
70
1526
No . Found
in Only
One Effluent
85
176
56
39
356
Priority
No.
Identified
22
11
6
0
39(b)
Pollutants
Total No. of
Occurrences
359
46
32
0
437
(a) Because some purged compounds were also present in extracts, less than 573 different
compounds were identified.
(b) Toluene, ethylbenzene, chlorobenzene, dichlorobenzene trichlorobenzene, and naphthalene
were found in both purgeable and neutral fractions. A total of 33 different priority
pollutants were identifed in this survey.
-------
REFERENCES
1. U.S. Environmental Protection Agency, Environmental Monitoring and
Support Laboratory. "Sampling and Analysis Procedures for Screening of
Industrial Effluents for Priority Pollutants", Cincinnati, Ohio (April,
1977) pp 1-15.
2. "Eight Peak Index of Mass Spectra", Mass Spectrometry Data Centre, AWRE,
Reading, RG7 4PR, UK, 1974.
3. Stenhagen, E., Abrahamsson, S., McLafferty, F. W., Ed., "Registry of
Mass Spectral Data, Vol. I-IV", John Wiley & Sons, New York, New York,
1974.
71
-------
APPENDIX
SAMPLE DATA TABLES
TABLE A-l. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 1VE
FMk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
17
ID
19
20
21
22
23
24
25
26
27
neiatlvi
Letentio
Time
0.16
0.18
0.20
0.20
0.21
0.21
0.24
0.26
0.28
0.29
0.30
0.32
0.57
0.91
0.97
1.00
1.00
1.01
1.05
1.06
1.0V
1.10
1.11
1.14
1.15
1.17
1.18
nzr
nfl
-------
TABLE A-2. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. IE
oc
PHk
Ho.
1
1
3
4
5
6
7
t
*
U
11
12
U
14
IS
16
17 -
U
19
20
21
22
U r
929
1010
1102
1202
1211
1685
1704
1714
ISM
18)4
1905
l«7«
1994
2109
2129
2135
2114
2204
2215
2295
2347
2394
**
*»
**
•
a
**
*
* •
•
*
*
*
•
t
*
ft
**
ft
*
*
*
*
, . TIT'T
(ranched Hydrocarbon C > 9
Branched Hydrocarbon C > 10
Und.can.
Silicon.
Iraoohed Hydrocarbon C > 12
Hexacthylbenaane
Hepcedecanft
Branched Hydrocarbon C > 17
Methylphenanthrene
t
Phth.l.t.
C2 -Phenanthrena
Cj -ttienMithrciM
C^-PheiUUtthrana * Alfcana
Cj -Phenant h rene
CjvPhenanthrene
Pcntad«cylben>*ne
?
Fhoaphate, Trloccrl
7
Branched Hydrocarbon C * 23
Baanched Hydrocarbon C > 23
Cu chroutogr»> look! like • tjplul (uo
Qwracttristic Ion* in M«t Spactrum
43 (100) 37 (88) 41 (76) 85 (34) 71 (25) 56 (25) 128 (5)
43 (100) 57 (90) 41 (70) 71 (35) 85 (25) 142 (5)
267 (100) 73 (30) 268 (29) 251 (18) 269 (18)
43 (100) 57 (99) 41 (79) 71 (52) 85 (32) 170 (3)
Internal standard
192 (100) 191 (62) 189 (31) 193 (22) 165 (18)
206 (100) 191 (33) 189 (29) 205 (23) 207 (20)
20} (100) 57 (93) 43 (86) 71 (60) 220 (56) 85 (42)
Intamal Standard
57 (100) 70 (9«) 41 (68) 55 (66) 100 (50) 83 (40) 112 (38)
57 (100)
57 (100) 71 (80) 85 (60) 43 (40)
57 (100)
Inc hydrocarbon Mixture.
Compound
Nonana
Dacane
Undecane
Undacana
Heptadecana
Heptadecane
2-Methylphenanthrane
7-Mechyldecanol
1,2-Benienedlcarborjrllc Acid Butyl, 2.
tathylpropyl Eatar
3,6-Dlnethylphenanthrena
2,5-Di«ethylphenanchrana
2 , 3, 5-Trla»thylphananthr*na
2 , 3 ,5 -Tr iattthylphanantbrene
Phoaphorlc Acid. Trloctyl Eatar
Decana 5.6-Bla(2.2-Dla»thyl-Pri>pylid 103
546
376
383
530
377
523
303
378
476
470
520
438
471
343
320
608
653
u>
-------
TABLE A-3. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. IE
GC
Peek
No.
1
2
3
*
5
6
7
8
9
10
11
12
13
U
15
1022
1034
1160
1329
1685
1704
1887
1913
1983
2073
20(3
208»
2113
2US
2209
a/I "
V
*
*
*
**
*
*
«
*
V
•
tot
**
*
Before Methylatlon
Branched Fatty acid C ±?
J
7
?
Hexaethylbeuene
Tetradecenolc Acid
7
Fatty Acti c iJ4
Fhthalate
Fatty Acid C 117
Fatty acid C >»7
Fatty Acid C 517
Fatty Acid C ±18
?entadecylbera en*
7
Characteristic Ions in Meal Spectrum
87 (100) 102 (65) 57 (43) 55 (33) 41 (38)
89 (100) 1J5 (94) 53 (75) 127 (61) 63 (48) 124 (30)
133 (100)
Poor Mate Spectrum
Internal Standard
74 (100) 87 (50)
41 (100)
74 (100) 87 (55)
1*9 (100) 41 (18) 71 (6) 150 (10)
67 (100)
41 (100)
55 (100) 69 (69) 79 (62) 87 (33) 41 (60) 43 (48)
74 (100)
Internal Standard
117 (100]
eel men Match
Compound
Echanone, l-(ethyl)>henlyl).
Tetradecanolc Acid H.E.
10-Undec*nolc Acid H.E.
Pentadecanolc Acid H.E.
1.2 Benienedlcarboxyllc Acid Butyl, 2.
Methylpropyl Eater
9,12-Octadeudienolc Acid H.E.
10-Undecenolc Acid M.E.
11-Octadecenolc Acid M.E.
Tetradecaooic Acid M.E.
3-But*nolc Acid, 4-rhenyl-t»uCyl Eater
tl
»1Q3
440
223
458
326
638
469
220
405
287
652
148
TABLE A-4. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. IE
GC
Peek
No.
5
10
11
na»«ilion
lode*
1689
1921
2183
Amount.
Ml/I
**
*
**
T«f*t«tm
ki.wrtif.cmio*.
R«x**t hy 1 bcnz*n*
rhthaUt*
Pent »d«cy I bttTis*!.*
OHrocteViitic lorn in MM SpMtnim
Internet Standard
149 (100)
Internal 5Ce.nd.trd
OMnpouml
1,2-BenienedicerboKyllc Acid Butyl, 2.
Hethylpropyl Eater
~li.
,103
473
-------
TABLE A~5. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 2VE
GC
Ptak
No.
1
2
3
it
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
Kelative
etencioi
Tine
0.13
0.14
0.16
0.17
0.17
0.17
0.20
0.20
0.21
0.21
0.23
0.26
0.27
0.29
0.30
0.31
0.37
0.55
0.88
0.91
0.96
0.98
1.00
1.06
1.23
1.24
1.31
1.51
Amount,
f«/l
—
1-10
1-10
1-10
1-10
1-10
1-10
<1
1-10
1-10
1-10
1-10
1-10
<1
<1
<1
1-10
-------
TABLE A-6. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 2E
oc
ftok
No.
1
2
3
4
i
6
1
»
9
10
11
u
13
14
15
16
17
11
19
20
RmntkM
Max
MS)
1710
1911
1921
1982
2071
2082
2111
2121
-
2139
2158
2170
2181
2197
2210
2228
2267
2)04
2J60
2527
Amount,
it/I
< *•
«
•
*
*
•
* i
-
•
•*
•
•
*
•
•*
• •*
A
before Methylatlon
Heiaathylbraaene
Tetradecenolc Acid
He*adecanolc Acid
Phthalate, Dlbutyl
?
Alkenolc ecld C > 18
Alkenole Acid C S. IB
T
Branched alkana acid C - 18
Sub.t. Cjrcloheiane Acid
Sub.t. Cyelohexane Acid
Pentaoeeylbencene
Sub.t. Phenanthrene Acid
Subtt. Phaaanthrene Acid
Subtt. Phenanthrene Acid
Svbtt. Pheoanchr«iM Acid
Sub«t. nMtunthrciM Acid
SufavC. PliananchreiM Acid
Subtt. n»u>ichr«» Acid
Subat. rhaunthraaa Acid
Charanarteie lorn in M— Sftanm
Internal Standard
74 (100) 87 (73) 41 (54) 55 <3S> 143 (12) 211 (5)
74 (100) 87 (60)
149 (100)
Vaak Spactra
67 (100)
S3 (100)
171 (100) 191 (100) 91 (91) 221 (87) 89 (83) (Ml»tur«>
74 (100) 87 (70) 55 (35) 141 (16) 179 (5)
146 (100) 101 (68) 134 (63) 91 (52) 41 (46) 92 (42) 187 (48)
146 (100) Weak Spactra
Internal Standard
59 (100) 41 (83) 91 (71) 67 (70) 241 (54) 242 (44) 302 (10) 121 (100)
121 (100) 91 (33) 55 (29) 59 (J8)
111 (100)
41 (100) Hok Spectra
41 (100) 81 (92) 91 (90) 105 (90) 79 (88) 241 (36) 242 (33)
239 (100) 59 (78) 43 (67) 41 (63) 240 (58)
41 (100)
59 (100) 253 (85) 254 (78) 187 (69) 211 (46) 21] (46) 329 (18)
Compound
Tetradacanolc Acid H.E.
Pentadecanolc Acid. 14 Methyl M.B.
l,2-ten»emdlcarbo*;llc Acid
Butjrl 2-Mth7l propyl aater
9,11-Octadecadlenolc Acid H.E.
10-Actadecanolc Acid H.E.
Trldecane, 2 rMthyl-2 pbenyl
Henelcoianolc Acid M.E.
Crcloheunacarbox;llc Acid 1.3-DUeeh;l-2-
[2-[3-(l-Methyl Ethyl) PhenjrlJ Bthyll-ttE.
Ditto
Subtt. -Phenanthrenacarboxyllc Acid M.E.
Subat.-Phenanthrenccarboxylic Acid M.E.
Subtt. ..phenanthrenecerbaxyllc Acid H.E.
5,8.11-Heptadecitrlraolc Acid M.E.
&i.
31)
614
519
42)
642
209
40)
317
343
369
369
200
312
567
287
218
-------
TABLE A-7. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 3VE
GC
Peak
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
ia
19
(dative
tecentioi
Time
0.11
0.12
—
0.13
0.17
0.17
0.20
0.21
0.23
0.26
0.27
0.37
0.55
1.00
1.02
1.06
1.11
1.23
1.25
Amount.
fa/I
—
—
—
10-100
10-100
10-100
1-10
1-10
10-100
1-10
10-100
1-10
1-10
-(8)
1-10
<1
<1
1-10
<1
Twitatiw
Identification
Air
Dlaechylether
Air
Ulaethylether
Dlchloroethyiene
Dlchlorone thane
2 . 3-Dlnet hylbutane
Methylethyl ketone
Hexane
Methyl cyclopentane
1 , 1 ,1-Trichloroethane
Trichloroethylene
Toluene
l.S.
Alkane
Alkane
Alkane
Alkane
Alkane
Charactwistk Ions in Man Sptctrum
44(100)40(2)
45(100)46(45)
44(100)40(5)
45(100)46(60)
96(100)61(95)98(70)63(60)
49(100)84(80)86(55)51(25)
43(100)42(45)71(30)41(15)
43(100)72(30)
57(100)43(60)56(45)41(40)83,85.80(12)
56(100)69(60)41(35)84(10)
97(100)99(66)61(60)63(20). 117(10)
95(100)97 (70) 130(90) 132(85)
91(100)92(60)
75(100)110(60)112(45)
57(100)56(45)71(20)85(18)
71(100)43(60)57(50)113(22)
57(100)43(50)41(30)70(22)71(20)98(15)
57(100)71(25)85(20)
57(100)56(55)41(32)71(18)85(20)99(10)
.
-------
TABLE A-8. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 4VI-a
oo
GC
Peak
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
Retention
Index
.12
.13
.14
.15
.16
.16
.17
.18
.22
.22
.23
.23
.24
.24
.32
.38
.51
1.00
1.06
1.14
Amount,
C9/I
—
1-10
1-10
1-10
<1
20-30
1-10
I -10
1-10
1-10
<1
1-10
1-10
1-10
10-20
1-10
1-10
8
1-10
1-10
Tentative
Identification
Air
Dlmethylbutane
Chloroethane
Acetone + Dimethyl ether (T)
Unknown (very weak)
Dichloromethene
Methylethyl ketone
Crotonaldehyde
Chloroform
Di-n-propoxy ethane
Chlorobutene
Chlorobutene
Tetrahydrofuran
1 , 2 -Dlchloroethane
Dlchloropropane
C7H16
Toluene
I.S.
Dlethyl dlsulflde
l-8rono-2,3-dichloro propane
dwacterinic lorn in Mast Spectrum
44(100)
41(100)56(62)39(58)
64(100)66(35)49(15)
45(100)43(65)46(35)58(20)
59(100)110(98) 108(96)74(60)
49(100)84(67)
43(100)41(83)72(90)
41(100)39(85)70(92)
83(100)85(66)
45(100)43(40)87(12)
55(100)90(50)92(12)
55(100)39(50)90(35)92(10)
42(100)41(72)71(53)72(52)
62(100)49,64(32)98(10)100(8)
63(100)62(70)41(35)76(32)
43(100)71(70)57(60)100(20)
91(100)92(62)
75(100)110(33)
66(100)122(90)94(65)
111(100)75(75)113(65)77(25)124(10)
-------
TABLE A-9. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 4VI-6
GC
PMk
No.
1
2
3
4
5
6
7
e
9
10
u
12
13
14
15
16
17
18
Retention
Index
.14
.15
.16
.17
.17
.IS
.19
.
.23
.29
.35
.54
.66
.89
.93
1.00
Amount.
«g/i
1-10
1-10
1-10
10-1CK
10
1-10
1-10 ea
1-10
1-10
1-10
1-10
1-10
1
1
1
<->8
Tentative
Identification
Air
Chlorone thane
1,3 -Butadiene
Unknown
Acetone
Chloropropene
Dichloromethane
Carbon Diaulflde
Chloroform + Alkane
Tetrahydrofuran
Vlnylchlorlde (T)
Benzene
Trlchloroethylene
Toluene
Tetrachloroethylene
Ethyl benzene
Xylene
I.S.
Characteristic Ions in Mast Spectrum
44(100)
50(100)44(34)57(30)
39(100)54(60)53(45)
56(100)55(72)
43(100)58(25)44(25)
41(100)39(85)76(30)59(20)78(8)
84(100)49(98)
76(100)44(28)78(8)
41(100)57(96)43(80)83(78)85(50)130(12)
42(100)72(30)71(29)
62(100)64(33)35(10)
78(100)
95(100)44(82)130(70)132(68)97(62)
91(100)92(60)
166(30)129(29)131(27)164(24)
91(100)106(30)
91(100)106(30)
75(100)110(30)
-------
TABLE A-10. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 4VE
oo
o
GC
PMK
.No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
Relative
letentioi
Time
0.12
0.19
0.25
0.28
0.29
0.31
0.32
0.38
0.56
0.60
0.88
0.89
0.91
0.98
1.00
1.07
1.15
1.17
Amount.
*ig/l
10-100
10-100
<1
<1
<1
<1
1-10
1-10
1-10
1-10
<1
1-10
1-10
-(8)
<1
1-10
1-10
<1
Tentative
Identification
Air
Dlchloroae thane
Chloroforn
Methvlcycl
-------
TABLE A-ll. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 4l-a
oo
GC
Peak
No.
1
6
7
10
11
13
14
13
16
21
22
25
26
*
nmntimi
Mea
852
M2
896
958
984
1030
1040
113»
1146
1340
1356
1921
2182
1612
/fcnoMit.
»»/i
*
*
*
*
*
*
* 1
M*
*
*
t
•
**
Tentative
Uamitkalion
T
?
?
?
?
»
Ethyl Benienenethanol
l-Pheir/l-l-pTopaaoiie
t
?
PhtKalate, Dlbncyl
Pentadeeylbenzene
Hexaethylbeniene
Om«.l«iBlk lorn in Mam Spectrum
45(100)78(86)91(74)43(71)92(45)117(32)89(35)131(12)
43(100)59(54)101(41)49(34) Poor epectra
43(100)59(53)101(22)52(20)78(15) Poor Spectra
85(100)43(99)58(65)59(31)115(22)131(18)
85 (100)43(99)45 (71) 58(41)
57(100)95(88)41(42)93(36)63(32)105(26) Poor .p.etr«
69(100)68(49) 54(35)41(32)71(18)
107(100) 79(5»)77(35)105(13) 136(8)51(7)
105(100)77(43)134(11)51(10)
71(100)43(67)40(28)83(25)56(24)55(23)89(20)98(18) Poor .ptctn-
71(100)43(70)56(64X9(59)143(12)173(11)
149(100) 150(9) 104(»41(7)76(5)205 (2)
Inotrul itudird
Inurul ittmbrd
Conpond
BcnxeiMacthaiiol t alpha.Ethyl -
l-Heunol,5-M«th7l-
l-BuC«nol,4.(Hurlo2.
Hcchyl Proply B«tir
S.I.
>1I>3
625
672
257
279
495
TABLE A-12. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 4I-b
oc
N«k
No.
1
4
5
«
9
10
14
15
16
*
913
1125
1247
1373
1445
167S
2087
2112
2182
*»
*
•
*
*
*
*
*
**
l.l'-Oxy Hi |2-Etho*7l-tth»n« (Carbltol
Aeeuphchilnw 1.2 Dlhrdro
Mu.uiulfvilc Acid 4-M.thTl Hrdraldc
B«n««ne«ulfon«aldtt H.4^tethyl
F.tty Acid O14
Sub anthracene acid
Fatty Acid &17
Octadecanole Acid
PttntaaecyltMtwen*
PaUttlc Acid
OiaracttiitUc. lorn in MM Spacvum
45(100) 59(38) 72(31)43(23) 104(5)
154(100)153(35)152(25)155(12)76(13)630«H«
91(100)155(41)65(33)186(30)
91(100) 155(23)65(27)121(23) 185(231
74(lOO)«7(5»)43(2U41(lg)143(l3)
253(100)91(30)254(28) 77(23)195(20)
55(100)74(86)87(58) Poor MS
74(100)87(63)44(33)143(11)199(2)
Internal StaniUrd
Internal Standard
Compound
Ethane 1.1' Oxr Bll[2-Ethoxy]
Acenanhthv lene.l.2.DlhYdro
Heneicoaanolc Acid M.E.
S.I.
A103
ell
408
194
424
522
-------
TABLE A-13. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 4l-b
co
QC
PMk
No.
1
2
3
4
5
be
6b
11
Indtx
873
881
956
982
1076
1135
1135
2180
1682
Amount.
PC/I
* .
Tentative
Identification
?
?
?
7
2-BrCMK>cyclohexanol
l-phenyl-l-propan-l-one
2-Echyl, B«nxenenethanol
Pentadecylbenzene
Hexiethylbenzene
OwKtirink lorn in Mn> SpKtnim
83(100)42(50)41(47)54(43)69(27)97(17)
85(100)43(53)58(48)131(22)115(21)71(20)105(7)145(2)
85(100)57(80)41(32)58(22)93(14)142(13)127(8)
69(100)68(49)54(34)41(33)42(22)117(7)121(3)
81(100)57(61)99(28)79(18)132(4)178(2)180(1)
105(100)77(52)51(18)134(10)
107(100)79(61)51(13)136(8)
Internal •eindard
Internal Standard
Moat RwtonatoU Bianw Match
7-Ox.blcyclo[4.1.0.]««ptan«
Ethene.(2-Ethozy.l^«thoKyethoxy)-
3.Pentanone,2,2,4.4-TecraMthyl-
Cycloheun>l,2.Bro-
5.1
-------
TABLE A-14. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 4E
oc
No.
1
2
3
4
5
6
7
8
9
10
11
12
U
14
13
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
lo*»
857
878
886
1003
1015
1022
1037
1077
1118
1135
1194.
1243
1264
1269
1288
1315
1333
1353
1367
1369
1441
1458
1467
1508
1520
1557
1591
1602
1628
1650
14/1
***
»
•*
**
•
•
***
**
***
*
*
*
*
*
•
•
*•
*
*
*
*
•
*
•
*
*
*
*
*
*
UmtificMion
Unresolved puk
T
Cblo rocyc lohcxeM
4-Chlorocyclohexanol
7
Alkyl-cyclohtxAiM
DlchlorocyclolMjune
2 -Broaocyc lohuaool
Broao , chlorocyclohwuiM
l-Phenylproptii-l-one
1 .3-Dlbr<»t>c]rcloh«M*
01broBocycloh«t«ie
Dihjrdro lnd«non« (1)
MlxturoT Broaot
IthuoiM, l-(2 ,4-DlBeth7lphmrl)
!
1 (2H> -«on« , 3 ,4 -Dlhjdro
C2-Alkyldlhydroln<
-------
TABLE A-14. (Continued)
oo
GC
No.
31
12
33
34
35
36
37
38
39
40
41
42
*
Mention
Ma
1612
170]
1713
1899
1921
1958
2000
2101
2141
2153
2166
2183
Annum.
mfl
**
*
•
*
*
*
*
*
*
*
**
**
**
TantttiM
MMHfiaUon
Hexae thy I beni ette
Mixture HC C 1 17
?
Nonadecane
Phthalate. Dibutyl
Halo atkane *?
Elcoacac +?
lten«lco»n*
Braochxl Hydrocarbon C 1 21
?
?
Prataitecylbemeiia
81§h bolltns Hydrocarbona
Quantification data unreliable b«cauae
of Increased baaallac In GC
ChaiatmilUc lorn in Maw Spactnim
Internal Standard
211(100)213(99)57(100)115(85)117(83)292(85)290(42)299(37)
211(100)213(95)115(90)117(81)292(65)290(40)294(35)91(63)
43(100)57(98)71(63)41(58)85(43)
149(100)101(31)85(25)103(31)
85(100)101(43)135(38)87(31)103(28)151(30)
43(100)57(93)71(61)85(61)41(48)
57(100)43(77)71(62)85(41)55(37)41(33)
57(100)43(66)71(5«) 85(33)55(33)
Peak unreaolved on GC-MS
"
Internal Standard
Mo.R.^M.B^nM^
Compound
Heptadecane , 2 -Ha thyl
Cl,-F.-Pentane
Pentacoaane
Heptadccana^-Hexyl
Elcotana-7-Hczyl
S.I.
«103
626
358
523
568
551
-------
TABLE A-15. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 5VE
oo
Ln
FWk
No
3
6
7
UL
tetenti
Tim*
0.13
0.17
0.19
0.20
0.24
0.25
0.26
0.29
1.00
.49
.49
. !>2
Amount
ft/I
<1
10-100
1-10
M
•>•!
1-10
1-10
1-10
-(«)
<1
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
-it>0
1-10
Uemificnion
2,3-DlzMthylbutene
3-Methylpent«ne (T)
Heune (I)
Hethyl crclopcnuiw
Altaic
j- Alkyl beiuciw
fAlkyl benzene
4- Alkyl benzene
4- Alkyl benzene
4- Alkyl benzene
- Alkyl benzene
• Alkyl benzene
Alkyl benzene
Alkyl benzene
Alkyl benzene
,H,j, <••!;.. U-Mvtliyliirupyl) henzrnv
CtaracMriitic lorn in Mm Spectrum 1
44(100)
41(100)56(40)
43(100)58(35)
49(100)84(60)
43(100)42(60)71(10)
57(100)56(90)41(80)
57(100)41(80)83(60)56(50)
56(100)41(50)69(40)84(6)
91(100)92(50)
5(100)
05(100)120(45)
95(100)120(40)
7(100)71(30)85(15)
15(100)120(45)
15(100)120(40)
7(100)118(50)115(40)
15(100)119(95)134(50)91(32)
05(100)134(25)
5(100)91(30)119(30)134(30)
9(100)134(30)
05(100)134(20)
9(100)134(30)
9(100)134(20)
9(100)134(20)
9(100)134(20)
9(100)134(20)
9(100)1)4(20)
9(100)134(20)
7(IIX»IJ2(4<»
-------
TABLE A-15. (Continued)
GC
Pnk
No.
31
32
33
34
35
36
J7
3S
l1*
elaclve
etentlor
Time
1.53
1.54
1.54
1.55
1.57
1.58
1.59
l.t.3
I.m in Man Spactram
117(100)132(40)
119(100)91(30)148(10)
119(100)134(40)
104(100)91(40)132(40)
119(100)133(50)148(30)
128(100)127(15)
119(100)148(20)
133(100)148(30)
133(100)148(20)
oo
-------
TABLE A-16. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 5E
oo
Peak
No.
2
3
6
10
13
14
1]
It
17
IS
19
20
21
22
23
24
26
27
28
(Motion
Mai
987
899
1002
1073
1085
1098
1101
1111
1116
1210
1289
1323
135*
1460
1628
Amount.
Mf/l
** •
*
*
T-J
* ,
*
*
Tcntativ*
hhntificMlon
7
Noaana
Dccane
2-BroBocjrclohaxanol
7
Hydrocarbon UDdacana
C* Alkylbaniaoa
l-BroBO-2-Chlorocyclohaxana
CS-AlkTlbtoifD*
7
H«phth.l.n.
C,-»lkylb«ilJ«n«
OlbvoaocyclohAxaiM
7
C2-Alkjrld Ihydronaphthalra*
1 (2H) -Naphctulcnoo* ,3 ,4.Dib7dro
7
Trlbutyl Pho>ph
>«n««ia,2-Ethyl,2,4-Dla*thyl
BenxaiM, tatraattthyl
B*n>«»(2-M«ehyl-l-Prop«nyl)
!H-Indai»-l,2-Dlol.2.3-Dlhydro
Cyc lohoxana , 1 , 3-Dlbroao-
EthanoiM,l.(2,4,6-Trla»chylpbaiiyl)-
l(2H).IUpbthalci>one,3,4.Dlbydiro.
Pboapborlc acid trlbutyl c«tar
4i
432
264
376
525
393
423
326
255
165
344
450
591
-------
TABLE A-17. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 6VE
oo
CO
PMk
Mo.
3
tel«ntloi
Tl»e
0.12
O.IB
U.22
0.24
Amount,
nn
10-100
<1
<1
1-10
1-10
1-10
(1)
Tnuim
MMifeatKM
All
Dlchlonnetluiu
2.3-uiMethylbutane
Chlorofum + C6 Alktne
1,2-Ulchloroe chant
ChvicHiinK lora in Mot SpKtnim
44(100)
*»(100)8«(80)
«3( 100)42(50)41 (40) 71(20)
57(100)M(90)41(!(0)
41(100) 51(95)43(82)83(60)
45(100)43(28)87(25)102(2)
62(100)t4(33)49(25)»8(8)100(t)
63(100)41(75)62(70)74(50)97(5)112(3)
»1(100)92
-------
TABLE A-18. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 6E
CO
GC
Ftak
No.
1
2
3
4
5
6
7
8.
8b
9
10
11
12
U
14
IS
16
17
18
19
20
21
Ml
895
915
957
983
1040
1093
1137
1137
1151
1158
12Z5
1340
1355
1432
1681
1920
2181
2458
2512
2744
2807
•
•
*
*
*
*
*
ftftft
«
V
*
•
*
*
•ft
ft
ft*
ft
ft
*
ft
IMIUUM
3-Bcptraonft
7
7
1
7
Aeetophenonft
Icophoron*
1-Pnenyl-l-Propanonc
A -Ethyl Bcnieiuaethwol
T
7
IIC * 7
7
7
7
HcxMthylbftnsen*
PhthaUU. Dlbutyl
Pcntadacylbenzane
Alkjrl Benitne
Phthalftte. Ill (2-«thTlkftX7l>
7
Allcylpolr«n«
OMrantrMc lorn in MM SpKtnim
57(100)41(35)85(20)72(15)43(15)114(6)
85(100)43(98)45(90)58(63)71(26)115(15)131(15)
45(100)43(83)85(68)42(48)57(35)61(25)
57(100)85(78)41(52)93(48)142(12)
69(100)41(76)68(50)42(46)54(41)121(3)
105(100)77(90)51(42)120(23)43(20)50(20)
82(100)138(16)54(16)41(14)
105(100)77(80)51(43)59(21)134(10)
107(100)79(88)77(52)51(15)136(10)
81 (100) 105(83)77 (52)41(48) 99(30) 148(6)
41(100)55(83)99(62)114(43)69(42)
70(100)41(80)55(71)42(43)69(39)112(16)
43(100)71(83)41(40)83(25)
43(100)71(96)56(70)89(58)41(30)143(5)173(5)
73(100)41(60)55(50)88(47)101(38)119(17)174(5)
Int*rn*l SUnUrd
149(100)41(20)76(10)205(3)
Internal standard
91(100)113(18)57(17)71(12)
149(100)57(43)71(30)167(28)
59(100)55(72)72(73)43(60) (41)60 281(2)
69(100)81(55)41(42)95(15)
Compound
3-Hept«nonft
2 -Peatanonft , 5 -•• thorny
..
Prop«n«nltrlU,2-M«thyl
ethanona.l-Phenyl
2-Cyclohexen-l-oM,3,5,5-Trl««thyl
Benxencnethanol Ethyl
2-Frop«aolc Acld(2-ftethyl Pcncyl Eft*r
2 -Octene
BuUne.Z^'.IMcthylcntbliU^Bli-I-Hethy
l-But«nol.4-(lwiyloxy)
1.2-Bensanftdlcarboxyllc aeld^tyl^-
1.2-Bftiu*aftdic«rboKylle «cld-
9-Oct«d«c«naaid«
Tetr*coiBh«xaftiM-tlaxM*thyl-
il
« 103
674
321
480
262
504
706
547
485
358
738
1 353
522
532 1
363
501
516
-------
TABLE A-19. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 7VI
VO
o
GC
FMk
No.
1
2
3
4
5
7
8
9
11
12
13
14
Relative
Retentior
Time
0.12
0.18
0.21
0.22
0.24
0.27
0.28
0.56
1.00
1.26
1.27
Amount.
C9/I
10-100
1-10
1-10
1-10
1-10
1-10
1-10
10-100
10-100
Tentative
Identification
Air
Dlchloromethane
2 , 3-Olne thy Ibutane
3-Methylpentane
Cg Alkane + Chloroform
Methyl cyclopentane
Trichloroe thane
Toluene
I.S.
Dlchlorobenzene
Dlchlorobenzene
Characttrntic lorn in Man Spaetnim
44(100)
49(100)84(50)
43(100)42(55)41(50)71(30)
57(100)41(90)56(88)71(6)86(4)
57(100)41(95)43(70)56(55)83(30)
44(100)45(90)41(40)43(32)
56(100)41(55)69(40)84(6)
97(100)99(70)61(50)119(10)117(8)
91(100)92(60)
75(100)110(50)77(33)
146(100)148(70)111(33)113(12)
146(100)148(70)111(35)113(10)
-------
TABLE A-20. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 7VE
oc
PMk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
IS
lelative
te tent Ion
Tlae
—
Amount,
P9/I
-
10-100
1-10
1-10
<1
<1
<1
1-10
1-10
1-10
1-10
1-10
1-10
10-100
10-100
Tentative
Identification
Ale
n-Pentane
Dlchloroe thylene
Dichlorome thane
2 , 3-Dlme thy Ibutane
3-Methylpentane
Chloroform
Isopropyl ether
Methyl cyclopentane
Trichloroethane
Carbon tetrachloride
Toluene
n-Butyl ether
Dichlorobenzene
Dichlorobeazene
Characterutic lorn in Man Spectrum
44(100)
43(100)42(95)41(90)57(22)72(12)
61(100)96(60)98(40)63(35)100(4)
49(100)84(98) Sat'd
43(100)42(58)41(48)71(20)
41(100)57(90)56(80)43(28)71(4)86(2)
83(100)85(62)57(40)
45(100)43(33)87(25)102(2)
56(100)41(62)69(40)84(8)
97(100)99(62)61(55)117,119,121
119(100)117(95)121(40)82(40)
91(100)92(55)
57(100)41(31)87(25)130(2)
146(100)148(70)111(45)113(15)
146(100)148(65)111(50)113(18)
-------
TABLE A-21. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 71
fa*
No.
5
6
8
9
10
11
12
13
14
15
16
17
11
19
20
HMMfcn
Index
965
991
1014
1098
1100
1116
1156
1300
1325
1331
1347
1MI
1682
2182
2810
1129
Amount.
«/l
*
•
ee
*
Tentative
Identification
1,3-Dlctilorebenxena
1,4-Dlchlorobencene
1.2-Dlchlorobenzene
Ikophorone
Uadeceae
1 . 2 , 3 .4 -Tet rahydronaphthalene
Naphthalene
Trldecane
1 (2B) -UphthaUne . 3 ,4-Dlhyitro
l,l'-lt?ha;l •' ••'••-«
Dlphenyl Ether
P*nead«cylb«iiMiM
PhCh*Ut<
l-Fbenrl,l.Pro|Miionc
Omctirinlc torn hi MM Spmnim
146(100)148(61)111(48)75(22)50(13)113(13)150(10)
146(100)148(63)111(57)75(30)50(18)113(18)150(11)
146(100)148(65)111(43)75(28)50(15)113(11)150(11)
82(100)138(22)54(16)95(11)67(9)
57(100)43(86)71(50)
104(100)132(39)91(30)115(18)117(13) 78(12)
128(100) 127 (21) 102(15) 129(13)
130(100)119(75)120(74)129(65)91(60)105(53)128(39)
118(100)146(59)90(51)89(25)63(11)147(6)
154(100)153(40)152(31)
170(100)141(65)142(42)77(41)51(30)169(29)115(27)171(15)
Internal standard
Internal standard
Most Rseinnabll Betna. Match
Compound
B«n«en.,1.3-Dlchloro-
Bensene 1 1 t4.Dlchloro.
2-Cycli>bexan.l.oi>e,3.5,5-rrla«cliyl
Butane . 2 , 2 -Dime thy 1 .
Naphthalene
l(2K)-Naphthalenone,3,4-Dlhydro-
l.r-Blphenyl
S.I
588
289
564
512
340
268
662
716
502
lO
-------
TABLE A-22. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 7E
u>
oc
Pi*
Mo.
1
2
}
4
5
«
7
8
9
10
11
12
13
14
15
16
17
1»
19
20
21
22
23
24
25
26
27
28
2»
30
Mix
887
903
985
990
1003
1014
1094
1100
1136
11J6
1193
1269
1331
13S9
1368
1397
1420
1438
1306
1554
1588
1630
1657
1682
169O
1707
1759
1843
1880
1887
A™«K.
«/i
*
*..-
* 1
*
1*
«•
*
A
*•
* -
*
A
**
*
*
**
•
*
***
4
**
'*«
*
**
*
*
»
; *
»
*
TwitttiM
ktantmcttion
o-Butyl Ether
2-Butoxycth*iK>l
1 ,3-DlchlorobmxcM
l,4-Mchlon>b*nc*ne
?
l,2-Dichlorob«as*M
liophornu
UndM«M
l.2.3.*-T*trah]rdrottApheh*Uei»«
NaphCh«lcikc
Alkrl--41k«coiM * -.u. i ityl -
2-P*nt»noo«,4-M«thyl-4-?h«nyl
1,2,3 ,4-T«t rahrdrooaphthAltn-l -on«
T
Diphcnyl Eth*r
Fh«nol(2,4-&i«(l-*ethylethyL>-
Eth«nol.2-[}-(2-ButoK7«tho*7J-
Sub«t. PTi«ool
2.&-Bl«(l.l-DiMtbyl«thrl)-4-««thyl ph«oo
Alkyl Bcnseoc
I.OMF of *19
Trlbutyl Pho*ptwtt
T
H«xft*tbylb«iu«iM
PhtlMUtfl
T
?
T
7
Phtha late
57(100)41(39)87(13)56(20)101(6)
57(100)41(73)45(60)87(23)43(18)75(10)
146(100)148(65)111(43)75(43)74(32)50(32)150(10)
146(100)148(63)111(42)75(41)50(28)150(10)
57(100)43(84)41(67)124(52)62(38)71(30)55(30)
146(100)148(63)111(51)75(55)50(42)150(10)
82(100)54(21)138(17)41(17)
43(100)57(88)41(68)71(40)85(23)
104(100)91(47)132(40)78(25)51(20)
128(100)127(13)129(11)102(13)51(13)
57(100)41(93)43(82)58(58)85(55)109(26)127(22)
161(100)91(72)119(48)176(41)41(42)43(42)
118(100)90(92)146(65)89(43)63(29)
Poor •••• «j>«ctr« (too wo«k)
170(100)51(70)77(64)141(62)142(41)115(26)
163(100)121(27)178(23)107(19)91(21)
57(100)41(73)45(53)73(28)85(23)
163(100)178(38)133(55) Poor ipectra
205(100)43(81)41(62)91(32)220(21)177(18)
43(100)41(76)91(40) Poor lp«ccr>
205(100)43(83)41(58)220(21)
99(100)41(28)155(12)211(5)
195(100)165(23)196(16)210(8)
Inttmal itandftrd
41(100)149(40)71(23)104(18)189(8)
43(100)205,220 Poor iptctr*
189(100) Poor ipectra
175(100)94(35)174(30)286(5) Poor >oeetr>
220(100)237(83)115(92)77(78)
,,.o,,nn,,,,,,,,..n ,„,»,„„„
Compound
But*n<,l,l'-OX7bl<
Cth«iiol.2-Buto«u«ocfl,4^>lchloro
BmsMM, l(2-Dlehloro
Benc«ncll(2>Dlchloro
2.CyelolMUn.l-on«,3,5,5-Trla>th]rl
Aculen*
3-PcntanoM,2>2.4.4.TChrlU-
m»fhj\
Phenol. 2, 4-81>(l-M«Chylbtit;l)-
Phoiphorlc Acid Trlbutjrl Eit ( 1-ltothrlbiit yl ) -
Clnnollne ,6 Jlethyl -4-Phenyl-
S.I
X 10
543
877
509
492
429
423
558
403
412
551
562
582
458
251
218
330
499
236
532
187
193
521 |
-------
TABLE A-22. (Continued)
VD
GC
Peak
No.
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
5'
51
59
W
Retention
Index
1941
2103
2145
2182
2345
2311
2429
2441
2460
24(9
2514
2540
2S49
2594
2614
2638
2650
2663
2676
2696
2734
2757
2797
2804
2855
2863
2868
2883
1913
707?
Amount
Mt/l
*
*
*
**
«O
**
*
*
*
**
*
*
*
*
**
*
•
** 1
i«
**
*
**
*
**
••
*
*
**
*•
1 , 1 ' -Slphenyl . 2 .Phenoxy
?
Phenoxy l,l'-Blphenyl
Pentadecylbenzene
Phofphorlc Acid, Trlphenyl Elter
?
Sob.t. Phoephate
leoeer of 135
Phthalate
Trlcreeyl phoaptiate
fheh.l«t«. Bl.(2-ethylh««yl)
Trlcreavl pboaphace
Trlcr««»l pl»«ph»t€
Trlcresyl pho«ph«te
Trlcreiyl phosphate
7
Trlcrcayl phocphatc
7
Trixvlvl pbo«phate
t
TrixylyL photphate
Howoloft of f«9
Ho»log of 149
Howloi of 151
?
Trl«lk»lPh«n-4.(l-
HethTlithTl)
Naphthalene, 1,2, 3,4.Tatrahydro-l, 8-
Benzene(l-Propyl-l-Nontnyl)
Naphthalene. 1-Butyl. 1,2, 3, 4-Tetrahydro
^-Pentyt
S.I.
354
261
502
304
290
387
368
234
265
195
US
305
264
226
350
217
234
359
-------
TABLE A-22. (Continued)
GC
pMk
No.
61
a
63
64
65
66
67
68
69
70
2972
2986
2995
3033
3080
3101
3113
3144
31S9
3205
Amowit.
fif/l
*
•
*
*
•
*
?
?
T
?
TrUlkTlphenvlphoBphate
?
?
»
J
?
Characteristic lorn in Ma« Spactmm
43(100) 145(97) 160(68) 91(63) 117(46)41(40) 77(33) 115(35)
91(100)43(81)103(68)118(55)117(54)77(48)41(42)335(30)319(43)
43(100)77(99)91(87)115(61)41(63)103(55)187(57)437(23)202(30)
43(100)145(82)91(75)160(52)117(42)41(42)103(31)118(31)
43(100)145(63)91(61)160(42)117(35)41(35)115(22)105(20)
145(100)43(96)91(78)160(58)103(40)77(38)41(38)
91(100)103(80)77(62)43(52)437(38)438(15)41(32)115(28)
43(100)91(61)187(48)202(36)118(31)41(25)145(21)342(6)
145(100)43(96)91(77)160(53)319(43)103(43)41(36)77(33)
43(100)145(90)160(65)91(58)117(34)115(28)105(28)
Compound
41.
x 1(P
TABLE A-23. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 7E
Me
Mo.
1
3
RMjntion
mdn
906
2181
ftX
**
**
TtntMiM
IdMitiotlon
2->jco«r
-------
TABLE A-24. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 8VE
vo
GC
PMk
No.
1
2
3
4
3
b
7
d
&el*ti<««
etentlor
Tile
0.13
0.19
0.26
0.2I>
0.29
l>.3»
0.58
1.00
Amount.
«g/l
10-100
1-10
1-10
M
1-10
-------
TABLE A-25. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 8E
fMk
No.
1
2
J
4
5
«
7
1
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
n>miiim
Indn
13.
-SSS
915
924
957
983
1023
1040
1137
1339
1355
1426
1557
1682
1(28
1920
[035
082
111
269
410
422
488
12
06
44
Amount.
wfl
*
•**
*
*
**
•
*
TontttiM
Toluene
3-Hfpt'"°°«
'-
'
4-Octanone
'
7
Acetophraooe
1 -Phonyl - l-Prop*noM
7
Alcohol C * 11
Alcohol C 1 12
DUthyl PhthoUce
ltex**ehylbracftiM
PhthiUto
ntbaliM, Dlbutyl
Alcohol
Alcohol (1-Elcooonol)
Poac«decyl bomcno
Phthaloto
AUyl ArOMtlc-Ketone
"
7
Alkcne
Phth«lot«
7
ChmcUrMic km in MM Scoctrucn
91(100)92(68)65(13)63(10)50(7)
57(100)85(30)41(231 72(20) 114(13)
85(100)57(77)41(77)43(67) 71(28) 115(23) 131(18)
43(100)85(93)45(78)42(52)58(42)59(40)101(13)
57 (100) 85 (82)41 (48) 142 (13)
69(100)68(52)41(43)54(38)94(6)
57(100)41(40)5X33)56(32)83(18)
105(100)77(62)120(22)51(23)43(20)
105(100)77(49)107(28)79(22)134(8)
71(100)43(86)41(36)56(32)83(30)173(2)
43(100)71(96)56(78) 89(59)41(50) 143(5)173(5)
73(100)88(58)101(46)55(37)41(43)119(28)174(8)
149(100>177(18)176(10)76(11)1M(8)105(9)65(8)
lateral StraUrd
149(100)150(9)104(8)57(8)41(12)167(3)223(3)
149(100)150(9)104(8)76(5)41(9)121(3)205(2)223(2)
71(100)43(96)67(70)81(70)137(68) Poor Spectri
43(100)55(70)83(70)97(68)41(68)111(26)125(22)
lntorno.1 otondard
149(100)104(18)77(12)5712 41(12)133(11)207(8)263(9)
105(100)163(38)77(27)207(3)
105(100)162(52)77(24)207(2)
99(100)105(35) 163(21)113(18)211(3)
55(100)43(95)41(93)69(63)74(60)96(53) 97(50)207(24)
49(100) 112(30)57(16)41(14)207 (8)321(5)
9(100)72(60)43(50)55(43)
Compound
Bciuene, Mothyl
3-flepUnono
1.3-Dlo.«n«-2-rrop«r>ol,2-M.thrl
Buunolc «cld 3.Hydroiy-3-Hechyl Mtor
4 -Oct.no.>., 2-M.thyl
Pentonedlnltrll*
Hcjuool, 2 Ethyl
p-Propuiooo. l.Pnuyl
H««n«.2,4,5,.Trt««thyl
l-But>nol-4-(Hcxyoxy) -
l,3-Prop«n«dlol.2,2-Dl«ethyt
l,2-tenzyllc telt dlithyl
l,2-B«nBOnodlearhoX7llc acld-BuCyl-
2jt.thylprof.ly Eit.r
.
CyclDtetr«d«ccpol,l(7vll-TrlMethyl-4.
,2-Bcnccncdlorboxyllc •cld,2»Bucoxyoch]ri
,4-Pentanedlono 3>Ethyl.3-Hydrox]r
..
-Trldccono, H«caMthjrl,7-(trlBOthyl
,2-Bentcncdlctrboxyllc ftcld^-Butoxy,
, 7^)ctanedlol ,2 , 7-Divethyl
4.1
206
191
612
692
530
254
584
224
554
596
699
220
480
604
306
279
412
353
303
-------
TABLE A-26. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 9VE
VO
oo
GC
Peak
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
lelatlve
letentlon
TIM
0.13
0.16
0.17
0.17
0.20
0.21
0.23
0.26
0.36
0.55
0.59
1.00
1.51
1.68
1.71
1.72
Amount.
MO/I
•\-100
1-10
10-100
•VI
<1
10-100
<1
10-100
1-10
1-10
-(8)
<1
<1
<1
<1
Tentative
Identification
Air
Acetone
Dichloroethylene
Dichlorome thane
2,3-Dimethylbutane
3-Methylpentane
Chloroform
Methylcyclopentane
Blonodichlorome thane
Toluene
Dibromochlorome thane
I.S.
HC K1S2
Dodecane
Alkane
M182 Alkene
Characteristic Ions in Mass Spectrum
44(100)
43(100)58(30)
61(100)63(33)96(35)98(22)
49(100)84(95)
43(100)42(55)41(40)71(30)86(2)
57(100)56(82)41(70)43(30)
83(100)85(60)87(10)
56(100)41(50)69(40)84(10)
83(100)85(70)87(10)127, 129, 131(1.7}
91(100)92(60)
129(100)127(80)131(30)79,81(20)
75(100)77(30)110(25)
57(100)43(73)71(50)85(30)
57(100)43(70)71(60)85(35) M+170
57(100)43(50)43(40)85(15)
69(100)55(75)41(55)57(55)83(50)
-------
TABLE A-27. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 9E
vo
VD
Peek
No.
1
1
3
4
5
6
J
8
9
10
11
12
13
14
15
16
17
18
1*
20
22
23
24
25
26
27
28
30
Mention
Index
854
880
887
907
935
1002
1016
1037
1066
1075
1087
1100
1115
1201
1212
1216
1265
280
285
290
301
319
351
359
379
Amount
nn
ft*
*
ft*
*
/*
ft**
*
***
*
ft* >
.'*
* •
***
*
*
*
• L
* •
« l
*
*
*
* '
* •
*
Identification
Toluene
7
?
7
1
Chlorocyclohexene
7
Bemaldehyde
4-Chlorocyclobexanol
2 -Ch lorocyc lohexanone
Dlchlorocyclohexaike
7
2-BroBocyelohexaool
DichlorocYclohexaae
Undocan*
BTOBO. ChlorocTclohncoiM
Dodecan*
7
Dlbrc»ocyc lohcxaiM
7
7
7
T
Trldec«ne
7
Alkylcyclohexane
7
?
Chmcurinic too. in Mm Spmnim
91(100)92(62)65(13)63(8)93(4)50(3)
129(100)127(82)79(52)81(51)131(25)48(21)47(20)93(14)
83(100)42(56)55(31)69(27)97(13)
79(100)81(90)91(80)93(54) Poor Specerui
70(100)83(48)97(47)69(40)98(39)55(38)42(22)
81(100)79(95)80(50)77(40)53(22)116(18)118(15)
177(100)175(64)179(45)61(32)96(26)95(25) Poor 5p.ctnj.
105(100)106(90)77(55)51(29)50(29)
57(100)80(29)44(23)81(21)134(5)136(1)
55(100)42(71)132(37)97(36)68(35)88(32)
81(100)80(63)79(26)41(18)116(3)152(1)
91(100)65(21)81(19)63(17)92(14)
81(100)57(49)99(28)41(23)
81(100)80(93)79(60)53(53) Weak Sp.ctr.
57(100)43(94)41(62>71<52)56(31)
81(100)79(23)117(10)119(4)198(2)196(1)
43(100)71(86)57(82)85(48)81(45)
43(100)57(91)71(78)41(60)81(25)98(23)
81(100)127(61)79(31)117(22)128(13)
7(100)79(82)43(58)132(57)57(56)134(155)115(41)
7(100)69(65)71(64)41(59) Poor Sp.ccrl
1(100)57(78)43(77)113(20)112(19)85(16)
7(100)55(78)69(77)40(21) foor Spectra
3(100)57(91)71(69)85(48)113(7)112(6)
7(100)71(75)43(55)44(50) Poor Speecra
3(100)55(99)43(91)69(81)57(64)82(54)
1(100)43(99)57(85)69(71)55(63) Weak Spectra
1(100)43(72)57(70)85(40)69(26)
Mon nmonilill B«man Match
Compound
Beuene, HatJ^l
CTclop.nt.noM .2.5 -Dljathyl
2-Cyclohexan-l-ol
Cyclobeiana . 2 -Chloro
Benialdchyda
Cyclohcxaoavlt2.Dlcbloro-
BenienaacaClc Acid, 2-Fropanyl Batar
Cyc Loheuno 1 , 2 .Brow* -
Cyclohaune , 1 . 2 -Dlchloro-
Heptana,2,2,4-Trla«chyl-
Cyclohaxanatl>Broao-2 -Chloro-, CU
-P.nt.n.,l-Etho»»-4,«-Dl«.thyl
aianal,5-Hatbyl-
yclohaxane , 1 ,3-Dlbroao-
antadacaoa,2.6,10(14.T«eraBathyl
yclohexane, Elcoayl-
etridecane,2,6,IO-TrlBethyl-
tl.
516
329
225
536
268
444
321
275
480
407
279
210
395
627
310
339
-------
TABLE A-27. (Continued)
GC
Ml
No.
11
32
33
34
35
36
40
41
43
44
45
1400
140S
1464
1501
1612
1922
21(3
2300
2380
2464
2514
-*.
*
*
^*
**
«*.J
*• '
• *
* 1
' * '
*
TMUUW*
T«trad«c«ne
Branch^ Hydrocarbon C t 14
Br*nched Hydrocarbon C *. 14
P*nC«decao«
H*x**thylben**ne
Phthalatc. Dlbutvl
P«aC*decylbeitfen*
Phthalac*, Butyl Bentvl
?
PhchalAte
PhttulBC* Bli(2-EthTlhexrl)
dwractwirtic lorn in NlM Spwtrum
43ri00157(84Win?^85f53ni3f8UUn^
57<100)44(78)43(70)B5(58)71(13) Weak •pecCr*
43(100)71(93)57(72)85(42)113(20)
57(100)71(99)43(92)85(57)41(46)44(39)69(27) V**k Sp*ctr.
Inttmcl •tancUrd
149(100)150(10)105(4)76(3)205(2)223(1)
Internal Standard
149(100)91(50)123(17)206(12)150(15)132(13)
85(100)125(99)199(53)155(48)153(44)
149(100)167(33)44(6)
149(100)167(28)57(12)43(11)113(9)
Compound
Tvt-r**-*.*^ t
-------
TABLE A-28. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 9E
oc
Paek
Mo.
1
3
4
7
11
12
U
13
16
20
35
36
40
41
42
43
49
32
53
54
55
56
57
58
59
60
61
62
63
64
„
MM
903
926
945
9»
1031
1035
1069
1111
1149
1512
1664
1710
1809
1875
1883
1914
2010
2114
2163
2183
2224
2245
2255
2266
2306
2316
2429
2451
2472
2480
Amount.
rtfl
aa
a*
a*
ee
aa
*
aa
aa
aa
*•
aa
aa
*
*
*
aaa
*
aa
•
»»
*
*
*
**
*
*
•
*
•
*
Tamath*
UmilUiien
Tpluana
?
Pentenole AcU, 3-Netl|Tl
Carbltol
T
Dlchlorocrclohexaa*
Unulc Acid
Octaaolc AcU
Benaeaaacatlc Acid
Dodecanese Acid
p-Toluaoeaalfoaaalda
Tetradeeanolc aeld
Fantadacanolc Acid
Bilo Acid (lr>
ratty Acid c i 15
»*>ad«c«iclc «cld
Hcld C > 18
C i 19 AHyl .eld
OKlrantttcttnolc acid 2-Octyl
eleoaanolc acid
Subat. Fatty Acid C i 20
Sutot. ratty Acid C i 21
Octadccanolc Acld,9,10-Dlhydro*y
Subtt. Fatty Acid (unaat.) "c i. M
Cloro Fatty Acid
91(100)92(49)65(19)51(6)50(5)
70(100)13(52)55(51)97(40)69(41)43(33)79(27)
74(100)43 (57)S9(35)«7(32)55 (20)99)20) 101 (9)
45(100)59(37)43(21) 72(23)104 (3) 103 (2)
87 (100)102(6*) 53 (37)41(29) 130(12) 129(11)
81(100)80(60)79(29)41(23)53(20)62(13)
105(100)77(60)136 (22)51(28)50(15)
74(100)17(45)43(41)41(32)59(23)127(11)105(9)129(3)
9I(100)130(29)>5(17)39(10>
74(100)87(63)43(47)41(35)55(29)143(10)171(5)183(2)185(1)
91(100)153(25)65(24)115(21)121(19)
74(100)87(70)43(42)55(30)143(21)199(9)242(2)243(1)
74(100)87(11)43(43)143(23)213(8)
156(100)74(63)91(53)157(47)406(41)237(40)
74(100)87 (74)43 (60)143(20) 12»(10)
74(100)87(78)43(48)53(35)143(21)227(5)271(1)
74(100)87(72)43(54)143(20)221(5)199(4)
74(100)87(81)43(52)55(42)143(27)199(8)299(6)
43(100)73(60)55(52)60(50)129(35)285(8)
Intarnal Standard
43(100)104(84)98(68)117(42)239(7)
155(100)55(48)87(42)43(38)74(32)109(31)117(11)206(3)
55(100)74(95)
55(100)155(68)43(60)74(54)109(37)97(36)
169(100)87(55)43(50)53(42)74(39)201(11)
74(100)87(77)43(55)143(27)199(5)284(6)327(3)
43(100)104(74)98(65)41(54)117(40)55(39)155(12)154(8)
155(100)87(54)55(52)43(47)74(34)109(33)206(6)
74(100)43(39)87(33)55(30)
74(100)43(43)87(33)55(31)95(18)109(12)
Compound
knama. Hathyl.
Cycloh«iai»aa.2.F»DTl-
P«ot«ooic Acld,3-MathTl.-mthTl Batar
Ethana.l.l'-o.ybtar2.r.thonr-]
Kaptanolc Acld.2-Pr<>pyl,-Mathyl Eatar
Cyclohaxana . 1 .2-DlcMoro-.Cli .
Baixolc Acid, Hathyl Eatar
Octanolc Acid, Hathyl Eatar
Dodacanolc Acid, Hathyl Eatar
Ban*anaaulfooa
-------
TABLE A-29. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 10VE
GC
Peek
No.
1
2
3
4
5
6
7
8
y
lelative
letentlon
UK
0.13
0.18
0.19
0.20
0.25
0.27
0.57
1. 00
Amount,
c«/l
<1
1-10
<1
<1
<1
<1
-(8)
Tentative
Mmifiotion
Air
Ulchloroethylene
Dlchloroaethane
Oxazole
Chloroform
Tetrahydrofuran
Toluene
l.S.
Cherecterotic lorn in Man Spectrum
44(100)
61(100)96(70)62(50)98(42)47(35)
49(100)86(100)
69(100)41(60)40(55)42(20)
83(100)85(70)
42(100)41(50)72(30)71(30)
97(100)99(70)61(60)117,119.121 <(10)
91(100)92(60)
75(100)
TABLE A-30. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 10E
Peek
No.
1
2
3
4
5
6
7
8
9
10
11
13
14
1!
*
_
Index
860
888
892
1002
1008
1048
1134
1172
1186
1215
1220
1387
1897
2181
1679
Amount.
ft/I
*
* :
* J3
» /
*
• 3
*
t.*
* M
*.'.»
• I
**
* _ .
*e
«* 3
MemificMion
7
I
?
HC + ChlorocTclohexaool
?
7
Chlorocyc lohcxcne
Broeocyclohexanol
Dlbroextcyclohexeae
BroBochlorocyelohexene
7
Mphenyl
Alkrlbenaene
Pmtedecylbcuene
Hexaethy 1 benl ene
Oierectemlic lorn in Meje Spectmm
83(100)42(68)41(63)55(42)54(41)69(32)97(12)
70(100)83(56)69(49)55(48) 97(43)91(37)42 (36»4K14>79(33')
79(100)77(33) Poor .Metre
57(100)80(26)41(22)44(21)88(12)98(9)134(4)116(3)
41(100)69(58)43(57)74(31)55(25)
55 (100)41 (93) 57 (42)68(33) 83 (12)
79(100)81(80)53(60)41(38)77(32)97(25)
81(100)127(36)79(27)41(26)57(25)99(24)128(10)
81(100)41(42)79(32)55(30)57(27)98(8)
81(100)127(33)79(32)53(21)41(17)112(12)128(8)
41(100)80(78)77(68)106(65)159(46)91(42)93(35)161(15)
154(100)153(43)152(31)155(14)151(11)76(10)
158(100)112(38)91(32)143(27)159(16)168(3)
Internal Stendard
Internal Standard
Compound
CTClohtianol .4-chloro- . Trent
2-FroDcnolc Acld,2-Propenyl E.t.r
Crc lohexeoe . 2 -Chloro .
Crcloheieool , 2-Bro«>-1 Cl. -
Cycloheuuie.l-Broen .2 Chloro. .Cle.
AcenaphthTlene .1.2 -Dlhydro-
B«ntene.l.3-Bte(l-Heth?l«tbenyl)
S.I.
o
(O
-------
TABLE A-31. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 10E
GC
raak
No.
1
2
3
4
5
6
7
1
9
11
13
14
15
16
17
18
*
nmuiioii
MM
1137
1509
1653
1672
1701
1772
17S2
1808
1884
1919
2087
2110
2182
2334
2378
2513
ft/\
ft
*
**
*
*
*
**
*
*
*
*
*
**
*
*
•
Ttntriw
IdMtfficMMn
7
?
p-Toluenaaulfonaaide
?
Tetradecanolc Acid
r
7
rcnMiWr.nr.tc Acid
t
7
Octadecenolc Acid
Occadecaoolc Acid
Pentadacylbaazaiia
?
T
7
•alaltlc Acid
.— , *—
79(100)53(90)81 (83)41(52)46(41)77 (32)97(28)
91(100)1:5(35)186(32)65(31)107(15)122(8)
91(100)65 (31)155 (25)185 (21) 121(1»)
143(100)103(96)135(84)165(73)77(41)202(34)169(28)
74(100)87(72)143(20)199(8)
74(100)87(73)43(64)145(23)213(8)157(7)
184(100)91(86)103(85)135(69)203(54)163(43)211(8)
74(100)87(77)43(41)59(27)143(21)
41 (100)55(95)74(78) 97 (58)96(56)151(24)1*4(13)236(11)
164(100)150(86)192(68)132(42)234(30)178(25)205(17)
55(100)74(63)87(48)180(9)195(8)181(5)222(4)
74(100)87(72)43(58)143(20)199(5)157(3)
Interaal Standard
43(100)217(32)275(6)276(5) Poor Splc Acid, Hathyl Cacar
10-Octadacanolc Acid, Mathjl Eatar
Ncnalcoaaoole Acid, Mathyl Eatar
.^i
402
427
583
472
447
253
466
573
726
o
LO
TABLE A-32. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 11VE
GC
Paak
No.
1
2
3
«
5
6
7
8
lalatlve
latent loi
Tlae
0.15
0.19
0.20
0.26
0.27
0.34
0.39
1.00
Amount,
«8/l
MO
1-10
1-10
1-10
10-100
10-100
-(8)
TantMha
ktontiflcation
Air
Dlchloroaje thane
Carbon dUulflde
Chlorofom
Dllaopropyl etliar
Carbon tatrachlorlde
Dlchloropropane
l.S.
OtaracHrMic lorn in Man Spectnint
44(100)
84(100)49(95)
76(100)78(10)
83(100)85(70)
45(100)43(60)87(30)59(15)
117(100)119(95)121(30)82(28)
63(100)62(68)76(40)41(32)
75(100)77,110(33)
-------
TABLE A-33. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 12VE
Peek
No.
1
2
3
4
5
6
7
II
9
10
11
12
13
14
15
16
17
IB
19
20
21
22
23
24
25
26
27
28
29
W
Illative
letentio
Tlmt
0.15
0.18
0.18
0.19
0.19
0.19
0.19
0.20
0.23
0.23
0.2*
0.25
0.27
0.28
0.29
0.31
0.37
0.37
0.38
0.38
0.54
0.56
0.88
0.91
0.98
1.00
1.06
1.06
1.17
1. IH
Amount.
X9/I
—
10-100
1-10
<1
<1
1-10
1-10
1-10
<1
«1
<1
1-10
1-10
1-10
<1
1-10
1-10
<1
<1
<1
1-10
1-10
<1
<1
<1
-(8)
<1
<1
<1
*l
Tentative
kfcntifkWioi.
Air
Acetone
+ FluorotrlchloroMthene
Dlethyl echer +
Chloroprop«n«
Olchloroechylene
Dichloro«ethan«
Carbon dl.ulflde
2 . 3-Dl»e thy lbut«M
Hethylethyl kecone
3-HtchylpentAnc
Tetrehydrofuren
Dlchlorocthane
1.1, 1-TrlcUorixchuie
Benzene
1 , 2-Dichloroprop«nc
3-Pentanone
Broejodlchloroejethene
Trlchloroethylene
1.1.2-Trlcbloroethane Sptctrum
44(100)
43(100)58(30)
101(80)103(50)105(10)
59(100)45(95)74(55)41(55)76(25)78(10)
61(100)96(50)98(40)63(30)
49(100)84(80)
76(100)78(15)
43(100)42(50)41(35)71(20)
43(100)72(25)
57(100)56(9S)41(88)
83(100)85(60)
42(100)41(60)71(30)72(30)
62(100)64(32)49(30)98(5)
97(100)99(70)61(40)119(15)
78(100)
63(100)62(72)41(68)76(40)
57(100)86(20)
83(100)85(65)129(10.127(8)131(3)
95(100)130(90)132(88)97(70)
97(100)83(80)99(70)61(60)85(50)03(25) (¥eek)
91(100)92(60)
91(100)106(30)
91(100)106(40)
91(100)106(40)
75(100)77(33)110(30)
71(100)43(60)57(5})
43(100)57(90)
05(100)120(30)
t^nooi i fir MM
-------
TABLE A-33. (Continued)
GC
PMk
Mo.
31
32
33
34
35
36
3;
38
39
40
'.1
•••?
, 1
telatlve
letentlon
Time
1.19
1.20
1.21
1.22
1.25
1.26
1.27
1.30
1.J7
1. 38
1. 40
1.42
1 . '. 1
Amount.
nfi
-------
TABLE A-34. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 12E
QC
PMk
No.
I
3
4
5
9
IS
18
18.
22
23
24
26
27
29
31
32
36
37
38
39
40
41
43
47
54
55
56
57
58
59
l^HBJ
Index
B80
B»7
892
995
10*2
1099
1136
1136
1160
1164
1170
1182
1187
1201
1216
1223
1240
1249
1254
1259
1265
1270
1279
1301
1349
1351
1353
1358
1363
370
MHHHM
«l/l
. *
*
•
*
*
**
ft*
*
*
*
*
*
• **
**
*
*
*
**
*
**
ft
*
**
*
*
«
•
««
MM^MMM
Tentative
Branrhed hydrocarbon C > 8
•Url Keton*
?
?
AcetophenoiM
Uodocane
BenaeneBethaiwl.-Ctllyl
1-Fhenyl 1-Propenone
HC •> Naphthalene
Branched Hydrocarbon C » 11
•ranched Hydrocarbon C > 11
Branched Hydrourboci C » 11
Dod«caiM
Bruictxd Uydroocbon C > 12
»r.och.d ^jrdroorbon C > 12
TMrihTdro. Methyl -N.phth.Unol
Branched Hrdrocarbon C > 12
Branched Hydrocarbon C > 12
Branched Uvdrocarbon C 1 12
Hechjl naphthalene
Branched Hydrocarbon C >. 12
mdecane
Branched Altane C > 13
Branched Hydrocarbon C I 13
Branched Hydrocarbon C tl.3
Branched Hydroc.rbon C i 13
Branched Hydrocarbon C * 13
lorn in MM Spe«rum
Pentane.2.2 -Ola* th»l -
1-Propanone.l-nieiiTl-
Undecane,2,4-Dia»thTl
Dodecane,2,5^)lB«th.l-
Ben«ene,l-tthrl.3-(l^l.th.l Ethyl)-
Pentadecane , 3 -Methyl.
Podecane
Trldecanet4,8-Dl»^tJlTl
Tetradecane.1-Chloro
1.2,3.4-Ietrali7dro-«.|lathTlna»hthaJa«.
4-Methanonaphthalene,l,4-Dlhrdro- 524
-Hexene,3,4,5.TrlMChyl-
pcadecane,2.6,10,14-Tetre«ethTl-
tradecjne,4.11-Dl«ethy]
57(100)85(26)41(21143(20)72(13)
85(100)43(92)58(63>4S(56)115(22161(211
43(100)45(79185(68178(111 Poor MS
57(100)105(«3)85(80)41(52)120(32193(23)63(20
105(100)77(45)43(22)120(15J
43(100)57(72)71(41185(30)156^2
105(100)107(65)77(5«)79(42)134(12)136(4
105(100)77(41)134(12)51(111
128(100)126(32)127(31)
43(100)71(71)57(57)85(50)126(15)
57(100)85(82)71(67)131(55)133(29)
133(100)97(51)119(37)148(36)55(28)56(24)
43(100)57(71)71(65)85(39)97(561
43(100)57(62)71(36)85(35)170(2)
3(100)57(98)71(41)85(22)98(18)112(13)113(12)133(11)
41(100)119(84) Poor MS
131(100)118(58)146(53)105(38)91(32)
43(100)85(66)57(55)133(21)147(13)
43(100)71(60)85(38)57(37)
44(100)57(49)85(42)71(36)99(18)113(10)141(8)140(7)
142(100)141(88)57(67)115(51)85(40)71(36)
43(100)57(90)71(79)84(13)85(10)
42(100)141(93)115(60)143(13)145(10)
43(100)57(62)85(37)71(35)184(2)
t3(100)71(9g)83(41>56(37)131(l»)147(9)
3(100)57(91)85(71)71(57)105(34)154(27)
Poor MS
(100)71(61)57(49)85(43)99(22)145(12)
" • _
(100)57(52)85(38)71(34)99(18)113(12)155(7)
-------
TABLE A-34. (Continued)
oc
•••k
No.
60
62
6}
72
73
77
82
84
85
86
1576
1392
1400
1*63
1*70
1501
1391
1680
1698
2181
if/I
V*
•
••
.
*
*»
«
««
•
*•
TMIatJV*
»lk»l naohthalcne. C2
Alkyl n«phth«l«iicf C2
Tatr«decane
>r«icted Hydroc.rboii C i 1*
Iruichnl Hydrocarbon C •_ 14
taudcune
a«xad«c«iie
luuthrlbuEiiw
toptidecme
P«tad«cylb«ii<«iic
OmitHiilrtc Ion* in M«i SfMCttufn
136(100)141(67)1:3(33)115(30)95(12)157(11)
136(100)141 (83)83 (72)88(46)101 (41) 157 (12)
43 (100) 57 (63) 85 (50)71 (45)
43(100)71(59)57(54)85(49)99(21)113(18)141(16)
57(100)43(62)85(61)71(59)99(27)
43(100)57(65)83(52)71(52)99(13)170(1)
43(100)57(77)71(62)85(52)99(15)127(7)
Intenttl Standard
56 (100)43(93)71 (80)85 (61)41 (59)
Intamal Standard
Compound
HaphthaLn. . 1 .4-Dia.thrl-
Dodecanc . 2-ttothrl -
Tat radacane , 2 , 5 -Dlaathrl -
Dodecan<,2,6,ll-Trla«tttyU
Hexadecane
S.I.
«10>
258
447
453
632
581
-------
TABLE A-35.
IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 12E
o
oo
QC
ft*
No.
4
1
9
10
11
12
IS
14
15
It
1)
22
23
26
27
2S
11
32
33
34
37
36
39
41
45
46
47
a
58
rnuiiiuii
Ma»
987
1167
1117
1377
1509
1554
1709
IMS
1913
1921
19(2
2073
20*3
2114
2121
2131
2113
2170
2196
2210
224S
2267
2275
2306
2355
2373
2MB
24(7
2524
Amount.
Ci/1
*«
*
*
*
*
*
*
•
**
*
*
*
*
ft
*
*
**
4
*
*
*
*
**
**
*
*
*
TMtttiM
UMtWcMiofi
Carbltol
J-Hrdroir Banaolc Acid
lanrthladlaiol.
1
Dodounolc Acid
f
Ttrr*4rrfinM» Acid
Subat. Fatty Acid C » 15
HaiadacanolC Acid
Phthalata. DlbutTl
Subat. Fatty Acid C * 16
9,12-Octadacadlanolc Acid
Octadacenolc Acid
oetadecanolc Acid
Phanyl (ulMt. Acid
NoUd«c;l bnznc
Subit. Booiolc Acid
O>lon»llL7l|>liai7l Acid
Alkvl mbat. benzole acid
iibt. lenioic Acid
45(100)59(33)72(25)104(3)103 (2)
120(100) 92 (86) 152 (4) 121 (31)65 (2»63 (22)
135(100)10X41)69(31)82 (15)63 (l])136(9)»im
71(100)43(73)97(17)173(3)172(2)
74(100)87(61)43(32)55(30)59(20)143(11)171(7)
181(100)148(86)108(60)69(31)45(39)136(27)180(25)
74(100)87(61)43(35)55(29)59(18)143(13)
55(100)74(70)96(44)87(34)181(15) Poor MS
Internal Standard
149(100)41(14)76(12)104(11)105(10)150(9)223(2)
4(100)87(63)43(32)55(30)41(27)143(19)185(13)
7(100)81(79)55(61)95(57)41(52)79(51)104(31) "
5(100)41(68)43(67)69(60)74(52)83(41) (265(1)] ?
4(100)87(67)43(53)55(37)41(30)143(10)
1(100)105(66)77(64)115(62)119(60)252(19)199(10)
1 (100) 146 (87) 153 (81)105 (82) 101 (75)41 (61)
46 (100) 91 (55) 117 (54) 133 (51) 109(33) 105 (30)
Internal Standard
1(100)103(82)79(63)41(64)241(19)302(2)
21(100)91(38)105(32)243(5)244(3)304(2) Good 1C
21(100)91(38)105(32)79(25)55(20)
3(100)41(63)55(52)261(11)305(3)
21(100)91(67)79(58)81(54)105(55)107(54)215(17)241(8)257(2)
1(100)41 (99)43(98) 105(85)55(68)79(57)131(54)213(14)243(13)241(12)215(6
3(100)91(78)121(75)105(62)243(22)215(13)304(4)
05(100)91(90)121(80)43(51)185(37)213(31)257(11)256(10)317(4)
05(100)91(99)131(70)43(60)78(57)146(51)213(15)303(5)
09(100)43(91)95(88)67 (68)91 (62)217 (35)261(29)305 (It)
3(100)237(78)129(67)41(63)59(60)255(14)
8(100)59(90)253(83)115(82)187(76)91(52)269(9)
""'"'••'•'•• ••• 'i • i.i. ,,n ; mn/.rt-n i1.2-(2-.tho«T .thoxr) -
»*B»olc Acld,2-airdioir^lathTl E.t.r
1,2,3-Bnuothladlaiola
— ^— — • —
Butyric Acid, Thlo-.5-D.cyl Batar
1.2-BaozanadlcarlxnrUc Atld.Mbutjl Eat
. .
9.12^)ctad.cadlenolc Acid, Mathrl Eatar
10^)et«decenolc Acid. Hcchyl E.t.r
H«n«icoMiioic Aeld. M«thyl C»t«r
" •—
2,5-Oct.d.c^llyttolc Aeld, Hethyl £«t*r
•••.•...•i
11.
M 11
563
228
373
227
229
386
340
710
375
-------
TABLE A-36. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 13VE
GC
Pa*
No.
I
2
3
4
5
6
7
8
V
1U
11
Kalativa
Katantloi
Time
0.13
0.16
0.16
o.ia
o.ie
0.24
0.31
0.35
0.36
0.55
1.00
Annum.
If/I
«1
<1
10-100
•>.io
10-100
10-100
1-10
1-10
1-10
-(8)
Idmtifiettion
Air
UlchloroMthanc
Carbon dUulflde
Dlchloroae thane
Carbon dlaulflde
Chloroform
Carboa tetrachlorlde
1 . 2-Dlchloiopropane
BroaodiehloroMtbtn*
Toluene
l.S.
Characlamlic kxt> « M*a Spectrum
44(100)
49(100)86(60)
7K100)
4»(100)86(bO)
76(100)
13(100)85(70)
117(100)119(9S)«2(30)
63(100)62(70) 76(40)
•3(100)95(70)127(10)129(15)
91(100)92(50)
75(100)110(50)
TABLE A-37. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 14VE
GC
PMk
Mo.
1
2
3
4
5
.6
7
8
9
10
11
12
13
14
Kelative
Retention
Time
0.12
0.13
0.16
0.18
0.19
0.20
0.21
0.21
0.24
0.25
0.35
0.55
1.00
1.30
Amount.
pg/l
1-10
1-10
<1
<1
<1
<1
1-10
<1
•vio
<1
<1
-(8)
<1
Tmtativ*
Idantifkukm
Air
Vinyl fornate or Acetaldehyde
Dlchlorooe thane
Uichloroethylen«
2 ,3-DlMthylbutane
3-Methylpentane
N.N-Dlmethylforiumlde (T)
Chloroform
Methyl cyclopentane
2-Methyl-l,3-dloxolane
1,4- Dloxane
Toluene
I.S.
Alkane (C9H2Q)
ChwacMrntk lorn in Man SpKtrum
44(100)
44(10O)43(8O)42(25)
49(100)84(90)
61(100)96(40)98,63(30)
44(100)43(50)42(30)71(20)
57(100)56(95)41(90)71(5)86(4)
73(100)44(65)45(30)128,130(2)
83(100)85(70)
56(100)41(60)69(40)84(6)
73(100)43(90)45(70)58(30)87(10) Big Peak
88(100)58(93)43(45)
91(100)92(50)
75(100)
57(100)43(80)71(40)
-------
TABLE A-38. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 14E
Me
Mo.
1
3
4
5
6
7
"
(Motion
Inta
856
Ml
11*1
1154
1376
1477
1641
1808
1920
AraM.
l-tfi
***
*
*
Taimin
Memilicetioti
Hethyleyc loheune
Tol«n.
N,N-Dl«lthrl«c«t™ldt
l.l'-Slphenyl
Dlphen]rl Ether
Dlb«nzofuran
1.4^«phth>lui-9-ol. 1,4-Dlhydro.
H,4J>Ucth]rlbeiiiciK>ul(oiiuldc
Dlbutyl FhthaUtc
OmcMrMc km ki MM ^pKtrum
83(100)55(98)98(50)
92(100)91(98)65(34)
44(100)87(55)72(20)
154(100)153(65)76(55)152(43)51(30)63(25)
170(100)51 (100)77(95)154(92) 141(73)
161(100) 139(50) 89(20) 169(18)
157(100)128(70)129(42)77(31)158(10)
91(100)65(32)185 (16)155(18)
149(100)41(15)1SO(10)205())22J(5)
Mo« RMKMbto Btenunn Mm*
Compound
Crcloheune, Htth;!-
Bmzeae, -Methyl
AeeUalde, M.H-DUetbrl
l.l'-Blphenyl
Bencene, l^l'-^Kyfate-
l>4-Heth«noo«phthe.l«M-9-oll 1.4-Dlhydro.
Benceneculfoiiul.de. H.4.DljMthyl
Methylpropyl Eeter
'ii:
559
455
511
649
587
-------
TABLE A-39. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 15VE
GC
Ftoak
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
Relative
Ketentio
Time
0.10
0.10
0.13
0.13
0.14
0.18
0.20
0.21
0.23
0.23
0.27
0.27
0.28
0.44
0.48
0.59
1.00
1.15
1.17
Amount.
Ml/1
10-100
1-10
10-100
10-100
10-100
1-10
1-10
1-10
10-100
10-100
1-10
10-100
1-10
1-10
1-10
-(8)
1-10
1-10
Tentative
Identification
Air
Carbonyl sulflde
Dlchloroethylene
Dlchlorone thane
Carbon dlsulflde (lota)
Chloroform
1 ,2-Dlchloroe thane
1.1,1-Trlchloroe thane
Benzene
Carbon tetrachlorlde
1 , 2-Dichloropropane
3-Pentanone
Bromod lchloro*e thane
Toluene
Uibromochlorone thane
1,1, 2 ,2-Tetrachloroethene
l.S.
Butyl ketone (T)
Alkane CgHlg
Characteristic Ions in Man Spectrum
44(100)
60(100)62(5)
61(100)96(70)
84(100)49(95)
76(100)44(75)78(35)
83(100)85(90)
62(100)49(32)64(30)
97(100)99(70)117,119(20)
78(100)
117(100)119(98)82(30)
63(100)62(70)76(40)
57(100)86(20)
83(100)85(70)127,129,131
91(100)
129 (100) 127(80) 208 ,210
129(100)166(95)131(90)166(80)
75(100)
85(100) 57(98) 100, 127(-v-8)
57(100)71,43,85,99
-------
TABLE A-40. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 15E
oc
PMk
No.
1
2
}
4
5
6
7
I
9
10
11
12
13
14
IS
MM
862
Ml
190
152
1006
1035
1074
1101
1113
1121
1124
113}
1140
12 IS
13W
Amount.
Kit
**
**
**
*
**
***
**
***
***
**
*
UwitfficMtion
OXA Blcyclo 14.1.0] tteptra
Cyclohexcnol
Chlorocyc lohax*iM
Diaithylpcntanol
T
Chlorocyclotraunol
7
Dlchlorocyclohcxane
BroMOcyclohezmol
Brnan»flChonycyclohMMae
BKMDChlorocyeloheuuic
1 -nienjlpropanone
1-Flmqrlpropnol
DlbroBcrclolMzaiM
Hcxjrloxybutjuiol
QmmalMk lorn hi Htm SffOnm
«J(100)41 (72)42 (70)54(49)69*35)97(17)98(4)
70(100)83(38)50(37)41(31)97 (25)98(20)
81(100)79(61)80(35) 53(27)77 (22)
57(100)85(70)41(42)58(27)
6«(100)68(47)41 (39)42 (2«)M(2»
57(100)80(25)88(11)90(4)134(3)136(1)
71(100)41(18)81(13)57(12) poor .ptctnj.
81(100)80(56)41(17)88(4)90(3)116(2)118(1)
81(100)57(78)99(23)41(22)132(3)134(3)
71(100)81(66)41(28)
81(100)41(10)53(9) 117(8) 119(2)
105(100)77(65)51(25)134(12)
77(100)79(82)105(92)107(92)51(41)134(10)136(8)
81(100)41(19) 161(6)163(6)
71(100)56(81)43(77)89(53)
MOM tatoMM. Btomnn Mm*
Compound
7-Oublcjrclo [4.1.01 lUptane
2 -^yc lohcxen-1 -ol
Cycloheiene ,3-Chloro-
Pcntinal, 2.3-DlMthyl
CycloptntMM, Cblon-
Cycloheunol. 4-Chloro
Cyclobeuiu. 1,2-Dlchloro-. Cll-
Cyclohexuiol, 2-Broao., Cl>-
CyclohexAm, l>Broao-2-H*thox]r-Cl«
Cjcloh«x«iM( l-Bro«o^^hlorot Cls-
l-PropanoiM, l.Pb«nyl
taoi.M M.thM»l. u-tthyl-
Crelaheuat. 1.3-Dlbra«>-
1-Butuol. 4.(l«zrlox]r>-
i.1.
« 103
578
608
612
621
319
520
595
576
438
521
656
457
441
613
-------
TABLE A-41. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 16VE
GC
PMk
No.
1
2
]
4
i
6
;
H
9
KeUtlve
teuntlou
Tlmt
0.14
0.19
0.29
0.39
0.91
1.00
1.24
1.43
1.50
Annum.
«/l
<1
-------
TABLE A-43. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 18VI
Paa*
No.
Relative
Retentio
Tl»e
Amount.
rt\
Tantativ*
Idantitication
Air
Acetone
Dlethyl ether
Chlorofor*
1,1,1-Trlchloroethane
Benzene
Trlehloroethylene
Toluene
1,1.2, 2-Tetrachloroethene
Oarict.ri.tic Ions in Man Spactnim
44(100)
43(100)58(30)
59(100)74(73)45(65)
49(100)84(40)
83(100)85(67)
42(100)72(32)71(30)
97(100)61(70)99(65)
78(100)
130(100)95(87)132(75)97(70)
91(100)92(60)
166(100)129(92)164(82)131(70)
75(100)77(33) ~
TABLE A-44.
IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 18VE
•Mk
No.
3
4
6
7
8
Keteatloi
Tine
0.14
(1.18
0.18
0.25
0.29
0.31
0.57
1 .OU
«/l
1-10
10-100
1-10
1-10
<1
1-10
1-10
Tentative
Uantrfication
Dlchloroethylene
Dichloroae thane
3-Hethylpentane •*• Chloroform
1,1,1-Trlclilorocthane
Benzene
Tuluene
l.S.
Characnrinic lorn in Maa Spectrum
44(100)
61(100)96(62)98(40)
49(100)
41(100)57(92)83(80)43(70)
97(100)99(70)117, 1J9. 121
78(100)
91(100)
75(100)
-------
TABLE A-45. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 18E
oc
Pattc
No.
1
2
3
4
5
6
7
a
i
to
11
12
13
14
15
16
17
nalantlun
M«
99»
1076
1083
1233
1241
1462
ISO*
1708
1749
1779
1791
1836
1U4
1910
1990
2Mi
2111
AmouM.
iVl
**
**
**
**
*
**
*
**
**
**
**
**
**
**
*
*
*
TwtMfc*
UMtMcation
Carbltol
?
7
DUcth]rlt>r*r<»'7*«tho*r b«nildrfiyd. * ?
Dlchlorobvnftolc Acid
lndolliMcarbox]r«ld«hrd*(b7droity iwtbyl
Dxtecuolc acid
Tetr«d«cuoic acid •*• T
T
c > is r.tty uid
c > is r«tty >cid » I
T
C > 16 ratty acid
Unadacanolc acid
C > 16 ratty acid
C > IS ratty acid
Octadacanolc acid
Oiaranarirtc torn In «*m Spactrom
45(100)59(35)72(27)104(4)103(3)
66(100)91(14)87(13)121(5)152(4)
66(100)91(12)87(10)121(5)122(4)
137(100)83(99) 109 (51)53(46)180(44)
173(100)175(64)145(39)109(24) 74(22)204 (20)206(12)207 (4)
177(100)163(36)131(32)91 (29)178(12)
74(100)67(68)
74 (100)87(71) 158 (83)143(19) 211(2)
140 (100)183 (76)113 (20)63(8)
74(100)87(71)143(18)199(14)256(0.1)
153(100)152(61)74(30)87(20)212(18)
198(100)173(32)115(29)129(27)213(21)171(22)76(15)
55 (100)41(71)74(64)87 (44)236 (2)
71(100)87 (72)43 (27)55(24)143 (19)270(2)
55(100)69(60)74(55)87(32)157(26)199(15)
55(100)69(65)74(57)87(42)199(17)222(4)
74 (100)17 (80) 55 (21) 143 (26)255 (3)
Oxnpound
Ethane, 1,1' -acybla[2-Ethoxy-
Bantolc acld.3.4-Dichloro.a»tliyl
-------
TABLE A-46. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 18E
oc
Mo.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
11
19
20
21
22
23
MMition
tntf*»
8*5
1036
1126
1143
1193
1210
1239
1246
1271
1290
1300
1313
1329
1350
1401
1427
1496
1530
1540
1579
1596
1903
2472
Amount.
HtA
«
**
»
**
**
**
•*
**
**
***
**
**
*
**
**
*•
**
**
**
**
*«
*
**
TmnttM
Umtifintion
Htchylcyclop«iicefioiM
H>th;lp7Tldln« » 7
Naphthalene + 1
Lioqulnollne
l.S-daphthrldln*
l,2-kn>l>ochluale C;H5NS
3-M.thylclnnollM C9HaM2
MthylMphthlleiie » 7
HethylnAphthyrldlne
Mithylcliuiolliie
»thyli«olo|2,3,llPyTldliie DlMChyl C9Hio>2
HtCKylhml^duole
Dl»ithrll»ul>ld«Mlml>1(M)67(56)96(54)41 (26)95(6)9. 7(4)
93(100)66(51)94(10)
121(100)102(20)121(17)127(18)63(10)129(10)
129(100)102(58)51(40)78(25)130(10)
130(100)129(26)76(28) 103(24)104(23)79(19)50(20)131(9)
135(100) 108(20)91(13)82(13)63 (12)45(11) 134(18) 131(9)
115(100)116(46)144(44)135(20)63(20)89(15)
141(100)142(82)115(74)130(70)76(25)103(24)
144(100)143(42)117(25)145(10)
115(100)144(51)116(42)89(12)63(13)50(10)
143(100)115(76)116(31)63(19)75(16)89(13)144(18)
115(100)144(54)116(50)89(14)63(14)50(10)145(6)
158 (100)157(34) 143(11) 130(13)89(9)63(10) 159(11)
129(100)147(94)115(78)162 (61)91 (42)77(32)50(21)
131(100)143(84)132(78)145(40)63(20)51(18)104(19)118(16)
131(100)132(80)104(18)77(19)51(16)133(7)
146(100)145(91)167(45)77(27)104(24)131(22)51(20)166(14)168(4)
146(100)145(61)131(74)118(20)91(20)65(14)160(4)
145(100)160(68)159(51)146(47)167(16)91(18)77(16)51(14)
180(100)153(67)179(24)152(11)126(16)63(10)111(11)
165(100)194(97)166(28)195(16)139(12)126(11)63(10)
168(100)141(30)114(19)140(22)113(12)63(1)169(13)
117(100)131(16)41(16)116(14)203(4)
Confound
2-Cyclopenten-l-one, 2-Methyl
Pyrldlne. 3-Hethyl
Isoqulnollne
l,6-H«phthyrldlne
1 ,2-Benzl«othlft*ole
Clnnollne, 3-M>ehyl
1,8-tUphthyTldliK
Clnnolio*. 3-lfcthyl
I«oqulnollne, IJIethyl
Clnnollne, 3-M.thyl
1,1-tUphthyrldlne
lH-Prrrolo[2.3-ll Pyrldlne. 2-tthyl
ryrl[2,3.D]PrrlBll«laol«
11.
* 103
700
426
561
683
451
394
723
525
478
552
476
555
382
462
466
399
-------
TABLE A-47. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 19VE
GC
PMi
No.
1
2
3
4
5
6
;
telatlve
tetentloi
Ti«e
0.13
0.16
0.23
0.26
0.35
0.60
1.00
Amount.
Kt"
-
10-100
1-10
•vl
<1
<1
-(«)
TMtUth*
IdMlHicMion
Air
Acetone
Chloroform
1.1, 1-Trlchloroethane
BroMMUchloroMthane
Dlbroaochloroncthane
I.S.
dmcttriitic Ion in Mm SpMnim
44(100)
43(100)
83(100)
97(100)99(70)61(30)117,119,121
83(100)85(70)127,129.131
129(100)127(80)131(30)79.81
75(100)
TABLE A-48. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 20VE
GC
Peak
No.
1
2
3
i,
5
6
7
8
9
10
11
12
13
lelative
letention
Time
0.13
0.19
0.23
0.25
0.28
0.29
0.30
0.40
1.00
1.37
1.38
1.39
1.65
Amount.
cg/i
—
10-100
1-10
10-100
<1
10-100
1-10
1-10
1-10
10-100
1-10
1-10
10-100
Tenotiv*
Identification
Air
Dichlorome thane
3-Methylpentane
Chloroform
Tetrahydrof uran
Methyl cyclopentane
1,1,1-Trlchloroethane
Bromodichlor one thane
I.S.
03- Alkyl benzene
€3- Alley J benzene
Cy Alkyl benzene
Ml 26 Alkene C9Hlg
Characteristic Ions in Man Spectrum
44(100)
49(100)
57(100)56(85)41(70)71(5)
83(100)
42(100)41(45)71,72(30)
56(100)69(50)4(42)84(5)
97(100)99(70)61(50)117,119,121
83(100)85(70)127,129,131
75(100)
105(100)119(80)134(20)
105(100)
105(100)
43(100)55(80)69(60)83,97,111
-------
TABLE A-49. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 21VE
GC
FM<
No.
1
2
3
4
5
6
7
6
9
10
11
Ulative
tetentlor
TIM
0.12
0.16
0.17
0.21
0.23
0.30
O.}0
0.56
O.bO
0.88
1.00
Amount.
09/1
10-100
10-100
1-10
1-10
1-10
10-100
•vlO
10-100
1-10
-(8)
Twitatiw
Identification
Air
Acetone
Uichloroae thane
Methylethyl kecone
Chloroform
Benzene
4-Methyl-2-pentanone
Toluene
DibroBjochloroew thane
Cj -Alkyl benzene
I.S.
Characteristic lorn in Man Spectrum
44(100)
43(100)58(30)
49(100)
43(100)72(20)
83(100)
78(100)
43(100)58(52)85(15)100(9)
91(100)
129(100)127(75)208(9)
91(100)
75(100)
oo
TABLE A-50. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 21E
GC
he*
No.
1
1
3
4
5
6
7
<
9
RMMVtMMI
Mex
853
864
984
193
912
1015
1044
1086
1118
Amount.
ft/I
*
***
**
**
**
***
***
***
**
TtnutiM
Hethylp«nt«i«l
Hexenal
Cyclohcxcnol
OilorocyclohcxeiM
H«lo~*lk«M
Ch lorocyc lohaxaao 1
DlchloroeycloiiexafM
Broaoeyc lohvxano I
BToaoehloTocyelohuuiM
eh»acb»«lic lam in Meat Spectrum
69(100)41(95)57(73)9»(18)
83(100)54(49)55(45)57(35)60(32)70(22)97(12)98(4)
70(100)83(37)55(35)69(31)41(26)97(25)98(22)
81(100)79(66)53(24)70(38)116(10)118(4)
177(100) 175(62)61(54)60 (36) 179(44)212(7)214(5)210(4) 17«(4)
57(100)80«45)44(45)81(41)88(28)98(18) 134(10)136(4)
80(100)81(99) 77(77)55(47) 100(49) 120U3H32O) 15*(2)
57 (100)81(99. 5)41 (37)99(39) 132(5) 134(5) 171(1)180(1)
11(100)70 (36)41(30)53 (28)117(20) 119(6)
Moo niauiilllll Bunenn Httth
Confound
2-Pentenal, 2 -Methyl-
7.0ul>leyelo[*,l,01 HepC«ne
2-Crclohoen-l-Ol.
Cjrclohexene, 3-Chloro-
C7Clohexftt«olt 4^hloro-, Traiu*
Cyclohucane. 1.3-Dlcbloro-
CTclohexAnol, 2-Broew-. Traiu-
Cycloh«xaa«, l-Broaw-2-Chloro, Cle-
8-1.
«1(>3
365
616
588
622
501
6O1
677
455
-------
TABLE A-51. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 22VE
GC
Puk
No.
2
3
4
5
6
7
8
9
10
11
12
13
14
lelatlve
letentio
Time
0.19
0.20
0.21
0.24
0.26
0.30
0.51
0.57
0.80
0.87
0.87
1.00
1.29
Amount,
HO/I
>100
10-100
10-100
1-10
1-10
1-10
1-10
10-100
1-10
10-100
1-10
—
1-10
Tmtatin
Identification
Acetone
Dlchlorome thane
Carbon dlsulfide
Kethylethyl ketone
Chlorofora
1,1,1-Trichloroethane
4-Me thy 1-2-penta none
Toluene
4-Vinyl cyclohexene
69 Alkene C9H18
CyAlkyl benzene
I.S.
H^IS' «•«•• C4 Alkyl cyclohexene
Chartctarntk lorn in Man Spectrum
44(100)
43(100)
49(100)
76(100)
43(100)72(20)
83(100)
97(100)99(70)61(30)112,114(13)
43(100)58(30)85,100
91(100)
54(100)78(80)66(40)91,93(20)
43(100)57(50)71(15)
91(100)106(45)
75(100)
5(100)67(60)68(38)81(32)41(26)123(21)138(15)
-------
TABLE A-52. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 22E
to
O
GC
PMk
No.
1
1
3
4
5
6
7
8
9
10
11
12
13
1*
15
16
17
18
19
20
Jl
million
kxtai
87*
122
»73
1023
1042
1050
1061
1123
1135
1155
1166
1173
12*9
1338
1654
1688
169*
170}
1712
1725
1740
Amount
**fl
**
***
**
**
**
**
**
*•
**
**
**
e*
**
**
e*
**
**
**
**
**
**
TMtMlM
TollMAC
NathylhcxAooM
7 * »lkyl-H«ton« C i 7
MethylcyclohexanoiM
Ikthylcrclohcxanol
C3WHk;lb*oxeoe
l-Hlthyl-l-Rl«nTl«th«nol
Cj-llkrlcjclohex.nol
Alkyl-ilcohol C > 9
Q,~tU;Urcloh«»nol
AUrl-Aleohol C > 9
AlkTl-Alcohol C > 9
Alkrl-bcooe C> 11
AUrl-Aleohol C > 12
Alkylphenol C > 15
Alkjrlphmol C > 15
Nonjlphraol C > 15
Nonylpticnol C > 15
Alkrlptxnol C > 16
Alkrlphmol C > 16
Alkylphraol C > 16
Onmimiih km In MM StMctnjm
91(100)92(67)65(19)63(12)
43(100)59(36)71(10)81(4)114(1)
43(100)41(81)69(32)97 (34)104(25)78(21)112(18)
55(100)56(45)41(50)112(23)83(20)
57(100)41(38)58(41)81(40)55(34)70(20)96(13)
43(100)77(92)105(82)51(58)120(19)
43 (100) 121 (38) 77 (16) 51 (16)122 (4)
71(100)43(74)81(14)98(13)123(7)141(6)
59(100)113(10)123(4)
71(100)43(69)72(14)
55(100)41(70)57(43)81(40)83(25)124(17)96(14)109(9)
55(100)59(86)81(52)95(55)67(47)136(13)
43(100)71(82)59(56)112(10)137(4)155(2)
43(100)83(81)41(68)69(61)55(56)81(33)97(14)
135(100)107(49)91(14)121(12)149(6)
121(100)58(76)107(50)163(20)177(7)
135(100)107(24)41(16)136(10)
107(100)135(67)149(56)121(55)55(22)77(17)91(14)191(10)
107(100)135(94)121(69)91(18)77(19)163(20)177(15)
107(100)121(68)149(61)77(18)55(18)177(15)
135(100)107(44)41(28)121(14)149(12)
Compound
Bcnsene, Itechyl
2-H»inonc, 5-Mothrl
Cycohexonone , 4 -Methyl
Cydohcunol . 4 -Methyl
Benzene Netheaol, er ,a-Dl»ettiyl
Cyclohexcnol , l-M*thyl-4-(l-Hethyl Ethyl)-
Treoe
1,9-Nonenidlol, 8-Htthyl-
Cycloheunol, l-«ethyl-4-(l-Nethyl Ethyl).
Trent -
Cyclohexenol, 4-(l-Hethyl Ithyl)-
Blcyclo|2,2,l]noptu-2-<>l. 1.7,7,-
TrlKthyl-
4,9^)odeceiMteloiie
1 ,8-Nonenedlol
Phenol, 4-(2,2,3,3,tetr* «ethyl butyl)-
Pheool, 3-(l,l-Di«ethyl Ethyl)
Ptienol , Nonyl-
Phenol, Dodecyl-
Phenol, Nonyl-
3.1.
«I03
572
807
836
533
708
453
496
471
364
515
332
500
475
445
656
421
532
-------
TABLE A-53. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 22E
oc
a«ak
No.
1
z
3
4
5
6
7
a
9
10
11
11
?
/»
15
16
17
18
19
20
21
22
23
24
25
tr
923
1062
1162
1169
1506
1543
1576
1J9»
1695
1703
1727
1738
1745
1M3
1911
1990
2001
2064
2088
2113
2137
2158
2193
2210
2301
AnoHM.
nft
**
**
**
**
*
**
***
«
**
**
•*
**
«*
*
**
*
*
•**
**
**
*«
**
**
**
***
tmt*t~t
l^mnmlun
n»nal
>a«olc «cl 16 Fatty acid
C > 16 rattjr acid
Occ^iTdrodlawthylplMiiaiithiaiw
C > 17 ratty acid + laoMr of •!•
Mlxtur* T
7
I«o«er of 20
t
7
Mixture ?
OmatmlMk torn In MM Spwtram
H(100>93(99)92((8)66(99)63(97)50(91) (S.tur.t.d)
136(100)105(100)77(96)51(97) (Saturated)
80(100)67(96)94(91)122(75)139(9)154(4)
94(100)93(99)87(99)80(99)67(98)122(82)139(15)154(2)
67(100)74(98)43(76)55(55)143(12)185(2)214(1)
58(100)41(97)109(80)136(54)168(52)140(38)224(4)
1 117(100)59(97)74(98)91(96)131(98)147(99)173(86)220(24)
132(100)147(98)117(97)91(95)74(54)220(26)205(1)
136 (100) 137 (96) 135 (85) 107 (79) 220 (3)
75(100)87(96)108(97)149(95)136(87)121(78)191(21)220(3)
108(100) 149(96) 121 (54)55(43) 177 (26)
137(100)136(87)43(68)95(33)77(26)91(23)107(20)220(2)
149(100)131(90)107(86)33(39)77(22)91(16)220(1)
74(100)69(98)55(94)87(61)236(1)
76aM)8»(100)S6(98)143(60)227(12)270(6>
33 (100) 74 (98) 87 (34) 143 (2 )
74(100)87(99)43(76)53(47)143(11)
198(100)197(99)131(98)117(87)91(76)257(12)272(14)
89(100)143(94)129(42)199(20)197(18)255(12)298(10)
146(100)92(99)101(98)133(96)187(39)284(1)316(1)
92(72)146(65)69(65)104(57)133(46)192(14)284(1)
146(100)91(64)35(58)123(59)284(1)
55(80)91(64)146(57)105(38)131(35)241(7)239(5)
91(53)69(46)115(52)131(54)155(52)157(52)195(24)270(9)
145(100)115(66)241(61)211(58)157(60)171(47)299(2)314(1)
Compound
Phenol
3-Cyeloluniie » Carboiyllc acld,4-«cthyl
.
Phanol.nonyl.
13-0etadtc«i»lc acid, aathyl aatar
15-0ctad«canolc acid, mtOtjl aatir
Subat. PhanattthrafMCarboxylle acid
tL
203
349
266
538
385
347
414
-------
TABLE A-54.
IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 22E
GC
P»k
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
13
16
17
8
19
RMMion
Ma
174
883
918
957
1006
10O9
1199
1204
1216
1303
1337
1333
1374
1393
1441
1461
1304
1346
1811
Amount.
•*!
+*
»
***
***
**
«
"
**
**
**
*
*
**
**
**
*
**
*»
*
Taitttn*
MntlHcMlon
Hlltur* 7
CyanopyrldlM
AlkylailrldlM • ?
HethylprrldlM
?
?
Alkylulae * 7 CgH19M
Mixture 7
Mixture 7
7
7
Alkrluine
N.N^ubic. Tormtmlif
7
7
lUptulne. «-(Phet.7l«ethyUn,)
N.R-Sutxt. Formld*
7
AlkylolM
ChMcirtiie lorn in MM Strain,
Compound
^.^~~^~^
FlKrldln«.1.2.6-trl».thvl
56(100)44(73)112(56)38(24)126(2)
104(100)78(74)51(34)77(28)103(51)
93(100)66(99)65(60)63(18152(18^41111.1
43(100)91(50)53(40)71(35)97(20)126(6)
86(100)42(44)58(34)111(18)126(3)
72(100)44(36)128(10)
44(100)72(67)151(37)107(20)
85(100)70(30)98(23)126(22)154(10)182(4)
72(100)44(34)115(25)132(16)118(17)175(3)
43(100)74(72)76(49)85(43)98(33)100(32)173(10)
132(100)115(52)133(37)174(31)77(20)91(19)188(3)
100(100)58(56)72(38)44(30)143(16)200(3)
72(100)132(80)133(38)77(68)118(44)115(43)186(2)
43(100)57(72)69(64)112(56)144(22)153(16)209(2)
132(100)105(63)86(50)77(28)146(26)188(31)
100(100)58(52)72(37)143(25)44(26)214(3)
lde, N.Bucyl-ll-d-Metbrl Ethyl).
92(98)112(76)69(51)74(43)98(37)144(27)167(10)
-------
TABLE A-55. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 23VI
GC
Pnk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
Index
.15
.16
.18
.24
.29
.35
.53
.54
.57
.97
1.00
1.28
1.50
Amount,
119/1
..
.1-1
10-10
10-100
.76
1-10
.1-1
.1-1
.1-1
.1-1
-(8)
.1-1
.1-1
Twitatim
IdonttiKction
Air
Butadiene
) Dlch lor one thane
Chloroform
Benzene
BroBodlchloromethane
Toluene
C3H5C1
Dlbronochlorone Chine
Ethyl benzene
I.S.
C., Alkyl benzenes
C, Alkyl benzene
Characteristic lora in Mas Spectrum
44(100)
54(100)33(80)35(48)
49(100)84,86(100) Sat'd
87(100)85(82)83(58)118(18) Sat'd
78(100)
83(100)85(65)129(12)
91(100)92(55)
76(100)78(35)
129(100)127(80)131(20)
91(100)106(40)
105(100)120(35)
119(100)134(25)
-------
TABLE A-56. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 23VE
N5
GC
Puk
No.
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
IB
19
20
Relative
letentlon
Tlae
0.13
0.16
0.17
0.18
0.24
0.24
0.27
0.28
0.30
0.45
0.50
0.55
0.86
0.88
0.91
0.93
0.94
0.96
0.98
1.00
Amount.
pg/i
>100
1-10
10-100
1-10
1-10
1-10
10-100
10-100
1-10
1-10
«1
<1
1-10
<1
<1
<1
<1
<1
<1
TmtMivt
Identification
Air
Acetone
Dlchloroethylene
Dlchloronethane
Chloroform
Isopropyl ether
1,2-Dlchloroe thane
1 ,1 ,1-Trlchloroetlune
Benzene
C8H16 ~ probably 2,4,4-Trimethyl-l-
pentene or dlsobutylene
C8H16 — probably 2.3.4-Trl»ethyl-2-
pencene
Toluene
C3'Alkyl cyclohexane C^H^g
C2. Alkyl benzene
C9H18 C3 ^kyl cyclohexane
C3'Alkyl cyclohexane
C3*Alkyl cyclohexane
C3*Alkyl cyclohexane (T)
C3«Alkyl cyclohexane (T)
I.S.
Charactwittic lorn in Malt Spwtrum
44(10O)
43(100)
61(100)96(40)
49(100)
83(100)
45(100)43(43)87(20)
62(100)64(30)49(30)98.100
97(100)99(70)61(50)117,119,121
78(100)
57(100)41(50)55(30)97,112
55(100)97(80)41(38)69(30)112(30)
91(100)
55(100)97(35)41(35)69(30)126(10)
91(100)106(30)
55(100)41(50)69(40)70(28)91,56,43(18)126(7)
55(100)41(34)83(125)69(13)126(8)
55(100)83(50)84(30)41(22)69(20)126(6)
41(100)69(80)55(69)70(47)104(43)56(38)57(34)111(20)126(12)
69(100)55(80)41(68)111(50)56(38)70(27)43(22)126(10)
75(100)
-------
TABLE A-57. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 23E
GC
PMk
No.
1
2
3
*
s
6
7
8
9
10
1164
1192
1210
1228
1252
1311
1316
1327
1331
1342
-
**
**
***
«.
«*
**
**
**
**
Alkylfomaide
Alkylwlne
AlkylforauU*
Alkjrlfonnld*
N.H-Alkyl-AlkylMldc
«,N~Alkyl-Alk;laQde
H,M^llk7l-Alk7l«aUe
• .H Jlkyl-*lkrl— Ide
M,ll-*lk;l-AlkTl«l<<«
N,ll->Lk;l-*lkyUBldc
OnraeMrMic hm hi MM Spmnim
72(100)114(47)100(46)58*38)142(18)156(6)
72(100)106(34)86(28)44(24)55(22)142(19)156(4)
72(100)59(76)100(48)128(46)114(35)142(18)156(10)170(5)
72(100)86(94)57(75)55(70)114(41)142(31)156(53)12X16)170(12)
100(100)114(89) 1»(7«)55(70)S7(62)»6(58)142(52)128 (20)170(12)
142(100)86(82)70(68)55(58)57(52)100(60)156(66)170(14)
100(100)44(91)128(80) 114(74)55(73)70(50) 156(34)170(12)
114(100)100(95)86(76)72(45)142(34)128(30)156(23)170(10)
128(100)100(96)57(48)70(47)170(7)184(3)
142(100)50(50)86(33)114(28)100(24)156(13)170(7)
Compound
Por*Mad«, N-Butrl-ll(l-HKCh7l Ethyl)
Butylulne, H-Mthyl-n-rropyl
Itoraulde.R-lutyl-H-d- M.th.1 Ethyl)
S.I.
»103
305
313
290
N)
TABLE A-58. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 24VE
GC
PMk
No.
1
2
3
4
5
6
lelative
tetencloi
TIM
0.16
0.21
0.21
0.27
0.31
1.00
Amount,
lit/I
1-10
<10
<10
1-10
-(8)
Tmtatm
Idmtification
Air
Dlchloroechylene
Dichlorome thane
Chloroform
1 ,1 ,1-Irichloroe thane
I.S.
Characurinic Ions in Mau Spictnm
44(100)
61(100)96(80)98(50)
49(100)
83(100)
97(100)99(70)61(45)117,119.121
75(100)
-------
TABLE A-59. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 25VE
GC
ft*
No.
1
2
3
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
2)
2*
25
26
27
28
2»
30
lelaclve
le tendon
Ti»e
0.13
0.14
0.17
0.17
0.18
0.18
0.21
0.24
0.2?
0.28
0.31
0.18
0.41
0.48
0.57
0.62
0.65
0.75
0.79
0.87
0.91
0.94
0.95
0.97
0.99
0.99
1.00
1.01
1.02
1.06
Amount.
wn
1-10
10-100
1-10
1-10
1-10
1-10
10-100
1-10
<1
1-10
1-10
1-10
10-100
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
10-100
1-10
<1
-(8)
<1
<1
0-IUU
Tentative
MmifksMKXi
Air
Butane or Methyl (CtHg) propene
Acetone
C5B10 * Unknown
Ethinethlol
Dichloroaethene
S-contelning Unknown
Methylethyl lulflde
1 , 2-Dlehloroe thane
Dlethyl tulfld*
Methyl n-proiyl >ulflde
OlKthyl Bliulf Ide
3-Methyl-2-chUpeat>ne
Th Ucyclopenune
Unknown Mixture
M 108 S-uaknovn
2-Hethyl tetr*hydrothlop*ne
3-rkthyl thlecyclopenune
Methyl chlacyclohuuine
DliKthyl thlecyclopentane
Dlaechyl thlacyclopenune
2,3-DlthUheune
Unknovn
Methylthlacycloheune
I.S.
C6HI2S
C6M12S
C4II,USZ (3.4-l)lthlalic>mn<-)
Crvncnrink: Ion in Mn» Spectrum
44(100)
41(100)56(55)
43(100)
41(100)59(80)40(40)55(25)63(15)70(12)78(5)
62(100)47(85)45(52)46(38)61(30)63.64(«)
49(100)
110(100)95(95)93(90)108(50)112(20)
61(100)76(55)48(52)
62(100)56(40)64(35)69(20)98,100(3)
97(100)61(70)99(60)117.119.121
43(100)86(15)71(4)
75(100)47(90)90(70)61,62(60)
61(100)90(50)
94(100)45(72)79(65)
75(100)41(80)104(60)56(45)
60(100)88(60)41(38)
142(100)45(95)127(65)94(57)140.147(47)61(37)
80(100)108(98)15(50)64(40)
87(100)102(40)
60(100) 102(90)41(68)45(67)74(60)87(50)
101(100)67(70)87(65)41(65)116(40)
101(100)59(52)67(40)116(45)
101(100)59(50)116(50)
80(100)122(45)
156(100)128(95)154,126(50)
101(100)116(60) C(H12S M116
75(100)
101(100) 116(50)41(50) 59(40)
101(100)116(50)59(50)41(48)
66(100)122(90)94(60)
-------
TABLE A-59. (Continued)
GC
PMk
No.
31
12
11
3*
35
36
J7
111
39
40
41
42
43
telaclv*
(etcntloi
Ti«c
1.0*
1.08
1.13
1.16
1.17
1.21
1.23
1.23
1.30
1.32
1.41
1.43
1.02
AmauM.
«•/!
1-10
1-10
1-10
1-10
1-10
10-100
1-10
1-10
10- lOO
10-100
1-10
1-10
1-10
IdMliKcMinii
MethylthUcycloheone
Unknown
Unknown
Unknown
Unknown
S-contalnlng Unknown
Unknown
Unknown
S-cantainlng Unknown
Dimethyl dlthl>h«un«
Ulaethyl dlthl«facknn«
S-cont4lnlng Unknown
3-Hethyl-l-(l-thluchyll>«uene) + M 16<
Unknown
OnntmiMic torn in Mm SpOTum
101(100)116(70)67(50)87(40) C6«12S
*1(100)43(«))80( 75)45(60)4 7(28)46(25)64(20) 74(10) 116(6)1 30(1)
87(100)116(30)130(5)
128(100)43(78)41 (45) 126(50) 170(30) 130(21) 124. 125(20) 12. 168(18)
I15(1OO)81(6O)101. 130(50) 59. 60. (,1(3)) 75(28)
94(100)66(60)4X55)1 36(46)41(29) 59(15)
101(100)511(33)67(30)130(10)
101(100)130(30)59(30)67(28)
94(100)136(70)43(65)66(55)41(42)
43(100)108(30)41(28)150(10)
43(100)108(30)41(25)150(12)
94(100)41(40) 57(35)66(30)150(15)
138(100)91 (90)45(72) 123(60)153(50)168(10)
-------
TABLE A-60. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 25E
NJ
oo
oc
PMk
No.
1
I
3
4
5
6
7
8
9
10
11
12
13
14
li
16
17
18
19
20
21
22
21
24
25
26
Indn
852
868
UO
M4
903
952
101J
1042
1047
1154
1235
1249
1263
1282
1307
1324
1347
1361
1385
1600
ua2
1700
1723
1742
1800
1907
nifi
**
**
**
**
**
**
**
**
**
**
**
**
*
**
**
**
**
**
**
**
**
**
**
*•
**
**
TtntallM
S-containln( T
Ethylbeiuenc
2.3-Dlchldiauoe
Xylcnt
3,4-DlthUhBunc
Hechrldlthl«lw»n« (C5H12S2)
T
7
C > 11 - Altene
Mphthlltnt * 7
Cj-Alkylbeuene
lH-Ind 11
Heudeeue « 7
C > 16 Alkuie
Hepudecane * 7
C2-l.l>->lpbenyl
C2-l,r-Blph«nyl
OetadecAn*
NoMdecane
CtimclMHlki IOM in MHS SpKtnjm
80(100)108(81)45(57)64(48)110(7)
91(100)106(38)105(21)77(21)51(23)
80(100)43(51)45(38)122(37)64(26)
91(100)106(36)51(22)77(18)65(12)63(11)
66(100)122(69)94(52)79(11)
94(100)43(80)66(65)136(40)59(27)
Poor Spectre
67(100)55(69)
55(100)83(78)98(15)
85(100) 128(83) 119(64)91(66)59(64)6«(60) 100(49)
133(100)43(70)79(64)77(54)105(46)51(32)91(25)
104(100)132(78)7e(62)51(38)77<39)74(20) 133(9)
91(100)119(83)148(79)63(64)77(29)
133(100)105(62)77(44)148(38)91(25)103(21)119(20)
119(100)148(86)91(70)89(61)63(56)77(41)133(41)
118(100)117(94)91(40)63(40)77(37)146(32)
147 (100)«1(7:)63C>6)119<43)162 (4«) 78(37)105(12)
117(100)146(70)118(52)115(40)91(34)63(33)51(28)89(23)103(16)
69(100)84(86)70(56)55(46)97(6)91(4)
57(100)70(72)69(68)111(53)95(25)83(17)77(13)
57(100)71(57)85(34)99(8)115(6)97(6)169(6)
57(100)71(82)85(34)91(23)128(21)168(30)165(27)
153(100)152(75)154(73)182(92)181(21)151(25)76(39)63(38)
153(100)151(62)154(65)151(28)182(75)183(18)
57(100)43(89)71(67)85(44)99(12)165(6)
57(100)43(94)71(62)85(38)99(10)
Compound
Bencene, 1,2-DlBethyl
Beiuene, Ethyl
2-Pentene, 4,4-DlBethyl
Benzene (1-Hethyl Butyl)
l«-lnden-l-one. 2,3-Dlhydro
3 103
549
407
586
323
672
555
547
476
528
467
586
403
539
644
-------
TABLE A-61. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 26VE
to
VO
GC
PMk
Ho.
1
2
3
4
5
6
1
8
9
10
11
12
13
It
15
16
17
18
19
20
21
22
21
24
23
?6
27
28
.">
leletlve
teteotlo
Time
-
0.18
0.19
0.30
o.4«
0.49
0.30
0.33
0.55
0.60
0.60
0.62
0.64
0.64
0.67
0.68
0.70
0.73
0.75
0.85
0.88
0.90
0.91
0.9)
0.97
1.00
1.01
1.04
Amount.
nK
-
•>»100
>100
>100
1-10
>1OO
>100
MOO
10-100
»100
10-100
10-100
10-100
10-100
10-100
10-100
10-100
10-100
10-100
>100
>100
>100
>100
>100
>100
>100
>100
>100
' 11)1)
Tentttw*
UMIIlfilllMMI
Air
Dlchloroe* thane
CjHjCl (I)
CjHjCl (T)
Benzene
Probably C?H14. e.g.. TetreMthyl
cyclopropane
Dlwthyl dKulfUe <2,3-dlthUbut>n<)
C6 Ketonc + C6H12
C8H16' '•&•• ^rl^ethyl cyclopentene
Toluene
2,3-Dl>ethrlhcune
AlLinc
Allune
C8U16 Hcthyl cycloheptane
CgH^g(e.g. ( DiBechylhexene
iydrocarbon
Alkene H112
Alkeite H112
lydrocarbon •
Allune
Hydrocarbon
lydrocarbon
[ydrocarbon + C2 alkyl benzene
C2-Alkyl benzene
Cj-Alkyl benzene
i2'Alkyl benzene
!ydrocarbon
lydrocarbun
< All-vl l-'M/i til-
Cheracunsoc Ions in Mot Spectmm
44(100)
49(100)
86(100)51(85)48(40)47(35)88(15)83(10)
47(100)51(95)86(70)48(55)88(28)83(20)
78(100)
3S(100>a](70)41(33)42(40)9
-------
TABLE A-61. (Continued)
OJ
o
GC
Peak
No.
31
32
33
34
35
36
37
46
lelative
lecentio
Time
1.05
1.06
1.12
1.14
1.22
1.25
1.28
1.30
1.35
1.37
1.42
1.44
1.47
1.50
1.56
1.57
1.60
1.63
1.65
1.67
1.69
Amount.
eg/I
>100
>100
>100
>100
>100
>100
>100
>100
>100
10-100
>100
>100
>100
10-100
>100
>100
>100
>100
>100
>100
10-100
10-100
10-100
Tentative
Identification
Hydrocarbon
€9- Alkane
63- Alkyl benzene
C3-Alkyl benzene
Cy Alkyl benzene
03- Alkyl benzene
Unknown
03- Alkyl benzene
€4- Alkyl benzene
C9H10- e-8-. Methyl styrene
Substituted cyclohexane
04- Alkyl benzene
Unknown hydrocarbon
€4 + C^-Alkyl benzene
Alkane
C10H12 («thyl styrene)
C5~Alkyl benzene
Naphthalene
Characteristic Ions in Matt Spectrum
57(100)41(20)83(10)75(5)110(2)
55(100)97(50)41(45)69(26)56(23)126(5)
43(100)57(65)41(40)42.56,85(18)40,71,55(10)99(2)128(1)
105(100)120(20)
91(100)120(20)
105(100)120(20)
120(100)105(80)
105(100)
120(100)119(30)
105(100)77,79(15)134(1)
105(100)120(30)
119(100)91(30)134(15)
117(100)118(50)115(30)
55(100)83(78)43(75)71(62)82(55)
105(100)119(45)134(20)
105(100)77(15)
55(100)97(62)41(24)96(12)111(5)
119(100)105(80)91(40)134(20)133(13)148(8)
43(100)57(90)71(35)85(20)
117(100)115,132(23)
105(100)148(2)
119(100)91,133,148(13)
128(100)
-------
TABLE A-62. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 26E
GC
Ptek
No
1
2
3
4
5
6
7
8
»
10
11
12
13
14
IS
16
17
18
19
20
21
22
2}
24
25
26
27
28
29
30
871
883
888
900
904
938
946
955
965
981
100}
1006
1016
1021
1035
1041
1045
1051
1055
1062
1068
1087
1104
1118
1127
1133
1136
1157
1184
1191
M/l
**»
**
**
***
«
*+
**
**
**
«.
**
***
*»
**
***
*»*
***
**
«*
***
***
***
***
***
***
«.
**
...
**
**
IM1UUV*
Butylacetite
Ethjrlbenceiw
Xjrlene
Iyl«n«
2 -fiutoxycthano 1
Cj-AUjrlbmteoe
C3-Alk7lbeni«ie
C3-Altylb«nzen.
C3-AUrlb.M««
Cj-tlkrltxnxtix
Dec*M
C3-*tkr"«ni«i>.
Itethylitjieoe
Etbrlhcunol
Ct-Alk^lbmeae
CfAlkylbmxnu
C^-Alkylbcnzttne
C4-Alkrll«nzenc
C4-Alkyll>«iuen«
C^-AlkylbemeM
C^-Alkylbeozene
Cs-Alkrlbcncene
«C * C9-Alk;lbcm«ie
^-Alkjrlbenzene
EthyUtyrene + HC
C5-Alkylbenzene
C4 -A Iky I benzene
laphthalenp
)5 -A Iky 1 benzene
S-AIkvlU-n't nr
OnntmiMfc lorn in MM Sfvctrum
43(100)51(30)41(15)73(14)61(14)
91(100)105(25)77(13)65(12)51(12)
91(100)106(37)77(15)51(14)65(11)
91(100)106 (37) 105(15)77(14)51(13)63(12)
57(100)45(48)41(43)87(18)75(9)
91(100)65(21)120(18)51(15)77(10)
105(100)120(26)77(21)91(18)51(13)65(11)
105(100)120(40)77(17)91(13)51(10)65(8)
105(100)120(25)77(20)79(18)91(18)51(15)
105(100)120(35)77(18)91(13)51(11)65(8)
57(100)43(99.5)41(70)71(38)85(30)
105(100)120(35)77(15)91*12)51(10)63(7)
117(100)118(60)115(34)91(25)63(18)51(12)
57(100)41(55)55(38)70(21)83(18)117(12)
105(100)119(92)91(36)134(37)77(26)51(15)
105(100)134(24)77(19)91(15)51(10)119(11)
105(100)119(64)91(50)134(32)77(25)51(15)65(12)
119(100)134(24)91(20)77(18)51(11)
105(100)134(18)77(19)91(12)51(11)
119(100)91(30)134(29)77(17)51(10)65(9)
119(100)91(26)134(24)77(13)41(12)57(11)105(11)
119(100)91(34)134(24)105(21)77(18)51(12)65(11)145(4)
57(100)43(95)71(44)85(21)119(25)134(12)148(1)
119(100)134(38)91(22)77(12)65(7)
117(100)132(33)91(23)77(13)63(11)148(3)
117(100)119(55)91(34)115(35)132(30)148(11)
119(100)134(34)91(25)77(14)51(11)
128(100) 73(19) 51 (13)63(11) 102 (15) 119(13)148(2)
133(100)148(25)91(22)105(17)77(15)51(11)
i It KMIH '.Hf?n'P| ( 10) tOSf2l ) /7U 8)51 (12)
Compound
Acetic Acid. lutyl liter
Benzene, Ethyl
Benzene , Ethyl
Benzene, 1,4-Dlaechyl
Etnznol, 2-Bucoxy
Benzene, propyl-
tenrene. l-tthjrl-2 -Methyl
Benzene, l-Ethyl-2-Methyl
Benzene. l-Ethyl-2J«thyl
Benzene. l-Ethyl-2 -Methyl
Hexane 3.3-Olaethyl
Benzene, l-Ethyl-2-Methyl
Benzene, 1- Ethinyl-3-Methyl
1-Heiunol, 2 -Ethyl -
Benzene, 1,2-Dlethyl
Beniene (1-Hethylpropyl)
Benzene, 1,2-Diethyl
Bemene, 2.Ethyl-l,4-DlMthyl
Benzene (1-HethylpropyD-
Benzene, 2-Ethyl-l,4.Diz«thyl
Bentene, 2-Ethyl-1.4-Dl«ethyl
Benzene, (1,1-Dlaethylpropyl)
Benzene, 1,2,3,5-Tetrevtethyl
Benzene, 1,2,4,5-Tetrajnethyl
eiuene, l-Ethenyl-4-Ethyl
Benzene (1-Ethylpropyl)
Benzene (1,2,3,5-Tetreaethyl)
aphtha Lene
Benzene, l-ethyl-2,4,5-Trl*ethyl-
.-ll/r-i.-, 1 -Klllvl -1-( 1-M.MIlvlrtltvM
S.I.
> 103
655
520
61]
470
802
403
636
593
617
678
575
633
550
610
695
637
743
623
511
636
606
470
542
671
502
447
666
258
580
•>?(.
-------
TABLE A-62. (Continued)
OJ
ro
GC
IS*
No.
11
33
34
35
36
37
31
39
40
41
42
4}
45
4t
Mac
1203
1335
1355
1515
1943
1966
1999
2101
2202
2306
2291
2405
2551 •
2605
2903
Amount.
ft/I
•*
***
***
#*
**
***
*«
**
**
**
**
**
TaMnin
Mantificatio«
Doaecana
Maehylnaphthalana
C > 13 AlkciM
Alkrl-AlcoKal C > 12
Trlehloro - T
Trlchloro - 7
C > 19 Alkane
Trlehloro . 7
Docoaan*
Tticovane
>utrll>cni;l-rhch«Uce
TctracoMiw
C > 25 AlUn.
lexacosanc
Hept«cos«ae
OcttcoMne
OmettrlMie km in MM Spoctmm
57(100)43(89)41(65)71(54)85(28)98(5)99(5)
142(100)141(68)115(60)43(23)63(20)143(10)
71(100)43(92)41(43)56(35)55(33)S3(26)17](3)
71(100)43(93)56(74)«9(55)154(13)173(6)
^ ^ ~— • __
247 (100)245(78)203(30)202 (40)249(48)251 (10)
118(100)47(69)63(67)264(41)262(32)267(20)279(35)277(26)281(17)
57(100)43(95)71(64)85(41)127(5)
79(100) U8(60)63(46)245{20>293(15)297 (10)299(12)
57(100)43(89)71(65)85(41)99(12)113(7)155(2)
57(100)43(88)71(67)85(44)99(14)113(8)127(6)141(4)
57(100)43(85)71(68)85(44)99(14)113(9)127(6)
149(100)91(90)65(27)104(20)123(12)206(11)
57(100)43(82)71(69)85(47)99(18)113(11)155(4)
57 (100)43(82)71(67)85(44)113(10) 183(1)
57(100)43(78)71(68)85(46)99(16)113(10)183(2)
57(100)43(80)71(67)85(44)99(16)113(10)127(7)
57(100)43(84)71(64)99(14)113(9)155(2)
57(100)43(83)71(61)85(40)99(15)113(10)127(6)
Compound
Dodcune
1-Hcxcne, 3.4.5-trl^tSyl
1-Butuiol, 4-(Hexyloiy).
—
• — —
Tet raeoatAM
Pentaco««rM
1
PentacolaxM)
^ .
Tetracont*ne
1,2-kiueiwdlorloxjrllc AcW, lotyl 2-
Mcthylpropyl B«t«r
Tetracantane
Fcntacosane
Docoaanc. 11-Decyl-
—
UDCosanc, 11-Oecyl-
Tetracontane
Tetracontane 3(5.24.TrlBatbyl
ii
J'Q3
272
356
502
663
766
770
349
728
756
707
663
571
-------
TABLE A-63. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 26E
GC
Peak
No.
1
2
}
4
}
6
7
8
9
10
11
12
1)
1*
15
It
17
It
19
20
21
22
23
24
25
26
27
fhjEntii-
MK
a»s
MM
100*
1027
10*1
1103
11*6
1203
1274
1340
1355
1351
1505
1517
1672
1706
1911
1980
2007
2049
2015
2113
2120
2163
2249
2296
AlllllKII.
*fi
**
»*
ft*
***
**
**
**
**
**
**
**
**
*
***
**
**
**
**
*
**
***
**
**
TMtBtto*
td.MHfc.rta.,
2-Butcmy tthaool
Hcxanolc acid
C > 8 Petty acid
Bvnxoic *cld
Ifcchylbmxolc «cia
TriMthrlbmuoie «cld
TrlMthylbmiolc acid
I
Dodecuotc acid
•MuttnMulfonMldc M,4-Ot«*thyl
T*tr«d«c«aoic acid
H*x*dac*nolc acid
C > 14 Fatty acid
C > 15 Fatty acid
017 Fatty acid
C > 18 Fatty acid
C > 18 Fatty add
57(100)45 (83)41(6«)«7(26)75(12)100(2)
74(100)43(99)59(61)17(56)55(39)99(26)101(11)
74(100)43(U)87(30)59(li) 101(10) 113(9)
57(100)87(99)102(99)39(43)69(25)115(20)130(16)
105(100)77(66) 136 (25)51(26) 119(1«)
74(100)43(53X7(40)55 (28)57(23)59(22) 127(5)
91 (100)119(96) 1H<69)65<*0)90(J») ISO (2«>
74(100)17(59)43(46)55(28)59(19)141(6)143(5)
74(100)87 (48)43(2«)55(18)5»(12)14J(8) 155(4) 157(1)
146(100)147(77)119(79)91 (70) 131(60)77(48)103(42)171(3})
147(100)91(47)119(42)77(24)178(26)
10)(100)43(«?)71(4))74(40)61(24)16](2)
74(100)87(56)143(8)171(3)214(1)
247(100)245(80)249(47)251(10)
91(100) 65(28) 155(12) 185(7) 121(6)
74(100)87(55)143(8)199(2)
87(100)74(99)43(90)55(61)143(17)270(2)
74(100)87(62)143(12)199(2)241(2)
74 (100) 87 (60) 143 (8) 199 (2 )
67(100)81(73)41(58)55(47)95(32)109(25)
67(100)81(75)55(69)41(66)95(45)109(18)197(4)
55(100)69(16)74(79)87(47)143(2)264(3)
87(100)74(99)43(74)55(49)143(17)199(4)298(1)
67(100)81(70)95(50)299(3)
67(100)81(64)41(47)55(44)95(31)109(15)294(0.5)
67 (100)81 (73)41(88)55(88)
55(100)87(70)74(45)
Compound
Cthonol . 2 -Butoxy
lutanolc acid. MChrl «lt«r
Bcpuaoic •eld. attthyl eiccr
Htunolc acid, 2-«th7l( atthyl t«t«r
Benzole acid, ••thyl ««t«r
Oetaoolc acid. Mathyl aatar
Bancolc acid, 2-MChyl. BCthyl t«t«r
Mooanolc acid, a»thadacanolc acid, latkyl aatar
Cyclopantanatrldacaooic acid, .ethyl aata
Raoalcoaanolc acid, a«thyl aatar
e.tar . (z,tjj — —
12.15-Octadacadlenolc acid, a«thyl aatar
10-Octadecanolc acid, Mthyl aater
Haptadecanolc acld.lJ-Mthyl, Mthyl aata
12,15-Octadacadlanolc acid, acthyl aatar
12,15-Octadecadleooic acid, a«thyl aatar
9,12,15-Octadacatrlenolc acid, acthyl aac<
Octadccanolc acid, 12-hydn»y, acthyl aat.
S.L
.103
750
523
452
627
517
636
603
691
758
526
722
716
614
818
549
646
649
491
688
743
60S
r?34
677
r 482
r 476
-------
TABLE A-64. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 27VE
Pnk
No.
1
2
3
4
lelatlve
detention
Tine
0.10
0.14
0.21
1.00
Amount,
MS/I
—
>100
>»100
-(8)
Tmtatiw
MentificMion
Air
Acetone
Isopropyl alcohol
I.S.
Ch«rKt«i«ic Ions in MM Spaetrum
44(100)
43(100)58(70)
45(100)43(20)59(2)
75(100)
-------
TABLE A-65. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 28VE
GC
Peek
No.
1
I
3
4
5
6
7
a
9
10
11
12
1}
It
15
16
17
18
1»
20
21
22
23
24
25
26
27
28
2«
311
Relatlv
tetention
Tt«e
.14
.IS
.17
.19
.20
.21
.23
.25
.10
.34
.49
.56
.62
.89
.66
.84
.87
.97
.98
1.05
1.05
1.12
1.15
1.15
1.17
1.18
1.20
1.22
1.25
1.28
Amount.
,V
10-100
»100
-100
>100
1-10
10-100
1-10
1-10
1-10
1-10
>1DO
10-100
>100
>100
1-10
>100
>100
100
-10
-10
-10
0-100
O-10O
0-1OO
0-100
100
0-100
100
0-10(1
Tentative
Identification
Air
Butene teeetaldehyde (T)
Acetone
DichloroMthane
I aobutyr aldehyde
2-Methylpropeaal (aetlucldeln)
Hethyl ethyl Kecone
Chloroform -f C7 Hydrocarbon
1 , 1 ,l-Trlchloro«thane
TetraBethylcyclopropane (T)
n-Rept»e
Toluene
Ethyl «ethyl-l,3-dlo«ol»n«
Unknown
C; Katone
Unkndtra
C^Alkyl beniene
Cyclooctatetraene
CrAlkyl bentene
Unknown
C} Alkyl benzene
C.f Alkyl benzene
Cj Alkyl benzene
Cf Alkyl benzene
Cf Alkyl benzene
CgHio Methyl styrene
Inknown
Cj Alkyl benzene
lydrccarbon
Characttrimc lorn in Man Spectrum
"(1/V>J
44(100)43(58)41 (48)56(32)42(22)
43(100)
49(100)
43(100)41(60)72(40)
41(100)70(70)42(30)41(25)
43(100)72(18)
41(100)43(96)57(95)13(90)85(60)
97(100)61(70)99(60)117.119.121
55(100) 83 (60) 41 (40) 98 (20)
43(100)57(28)85(10)100(5)
91(100)92(60)
87(100)59(90)41(50)72(20)110(5)
106(100)65(60)51(50)
43(100)71(20)87(5)114(5)
87(100)59(80)41(60)56.43(38)129(2)
91(100)106(30)
104(100)78(60)51(32)
91(100)106(50)
43(100)71(75)41(52)56(40)89(12)101(2)
105(100)120(20)
91(100)120(20)
105(100)120(20)
105(100)120(22)
105(100)120(35)
118(100)117(95)103(60)78(50)
55(100)69(95)115(90)41(60)45(46)43(42)71(20)157(3)
105(100)120(38)
57(100)56(73)41(65)72(40)
105(100)120(15)
-------
TABLE A-65. (Continued)
GC
PMk
No.
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
30
SI
52
53
54
Reletlve
Retention
Tl»e
1.30
1.33
1.34
1.35
1.35
1.37
1.39
1.39
1.41
1.41
1.44
1.46
1.47
1.49
1.50
1.S1
1.52
1.52
1.52
1.56
1.61
1.64
1.92
1.97
Amount.
K9/I
1-10
10-100
1-10
10-100
10-100
1-10
10-100
10-100
10-100
1-10
1-10
1-10
10-100
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
>100
>100
TmUtlve
Memihcffkm
C9*10'"* """i"1 «»««•
C,- Alkyl benzene
C- AUyl benzene
C^ Alkyl benzene
C^- Alkyl benten*
Cj Alkyl benzene
C' Alkyl benzene
C^- Alkyl benzene
C^ Alkyl benzene
C - Alkyl benzene + alkAne
C4 + C;- Alkyl beniene
C^- Alkyl benzene
C4 Alkyl benzene
Cj-Styrene
C,.- Alkyl benzene
Cr Alkyl etrene + C.- Alkyl benzene
Cf Alkyl benzene
C4 Alkyl benzene
Unknovn
K«phth*lene
Cj Alkyl benzene
Alkene
Blphenyl
Dlphenyl ether
Cheranwiitie lorn m Mm Spectrum
117(100)118(48)115(38)63(18)91(17)
105(100)119(75)134(25)
105(100)134(12)
105(100)119(50)91(40)134(28)
119(100)91(30)134(18)
105(100)134(5)
119 (100) 91 (28)134 (20)
119(100)134(15)
119(100)91(30)134(20)
119(100)134(20)
119(100)105(67)91(40)134(12)148(3)
119(100)134(20)
119(100)134(28)91(22)
117(100)115(30)132(25)
119(100)91(29)148(12)
117(100)115(27)132,133(20)148(5)
119(100)91(30)148(9)
119(100)134(30)
105(100)106(82)104(75)91(60)132.148(12)
128(100)
133(100)105(30)91(29)148(20)
43(100)57(95)71(45)85(20)
154(100)153(40)77(38)
51(100)77(95)170(90)141(70)142(65)115(40)
-------
TABLE A-66. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 28E
UJ
QC
No.
1
2
3
*
5
6
7
8
9
10
11
12
13
lnda»
•53
866
878
890
903
928
942
96*
974
1002
1099
1355
1389
Ml Mint.
Kt/l
-*
***
***
***
»
**
-
***
**
**
«*
*«*
***
TantatIM
Dhatthyl-3-Pntanona
EthTlbnuaiK
O-Xylenc
P-Xylana
2-Butexyathanol
Propaaolc Acid. 2*Hathylpropjl Eater
Cs-Alkylbaniene * 7
Mixture 1
Cj-Alkylbeniene
Decane
Undecane
l.l'-Blpheayl
Dlphenjl Cth«r
OutclMlMk toot «» M»» Stucmtm
43(100)71(90)41(42)70 <20) 114(14)87(5)
9) (100) 106(25)51(13)65(11)77(8)
91(100)106(68)51(31)65(26)77(26)
91(100)106(88)77(38)105(38)51(36)
57(100)45(50)*! (44)61 (25)87(18)75(10)
71(100)43(81)40(57)57(51)89(23)91(8)106(3)
56(100)41(60) I05(57)69(>1)57(43) 115 (33) 120(12)
56(100)69(94)115(86)71(24)73(12)157(4)
105(100)120(33)77(20)91(15)51(15)121(2)
154(100)153(41)152(31)76(25)51(17)63(13)
51(100)77(97)141(49)170(50)
Compound
3-Pe. 2 ,4-Olxtbr 1
Bensenc. Cthyl-
•cmnic, l,'-Dl«.thjl
teiuene, l,4-Dl«ethTl
Proj^nolc Acid, 2-ttoUijrlpropyl Eiter
tei»«K. 1.2.4-TrlMthjl-
l.l'-Mphcnrl
knicoc. l.l'-Ocytl.-
S.I
, 103
514
769
534
429
581
664
580
4*1
TABLE A-67. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 28E
oc
taA
No.
1
2
3
4
5
6
7
8
9
10
11
907
987
999
1063
1105
1363
1506
2070
2080
2165
2298
nt/l
it*
**
***
**
~
**
**
•*
**
**
**
C > 6 ratty acid
Carbltol
Phanol
Beotolc acid
Octanolc acid
Dlphcnyl athar
Dodacaaolc aeld
Octadacadlanolc acid
Octadccenolc acid
C > 18 Patty acid
C5-Alkyl,octahydro,phanaiithrana
carbocyllc acid
CharaeMrink lorn •> Ma> Spactnmi
74(100)43(58)59 (34)87(33)99(16)101(8)
45(100)59(42)72(23)43(22)89(2)103(2)104(1.7)
94(100)66 (71)40(21) 95 (7)
105(100)77(47)51(61)136(28)106(8)
74(100)41(41)55(32)87(40)127(7)
170(100)141(89)51(83)77(64)113(36)169(25)
74(100)41(54)67 (56)55 (38)115(8) 170(7)1830)
67 (100)41 (90) 55 (80)81 (69)95 (40) 109(16) 197 (4)
41(100)55(99.5)69(50)74(46)87(26)180(2)
74(100) 87 (70)43 (50)41 (38)53 (34) 143 (16)199(4)
43(100)141(65)55(61)59(59)239(80)299(10)314(4)
Omvound
Pentcnolc iicld,3-i**thrl. *tthrl ««t«r
EtKuw , 1 , 1 f -OxybU 1 2 -cthoxy-
PhMtol
B*ncolc acid. iMthyl *«t«r
Octcnolc *cld. atthyl «»ter
B*oxenc,l,l'-Qvrbii-
C7r1
-------
TABLE A-68. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 29VE
oo
GC
PMk
No.
1
2
3
4
5
6
7
8
»
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
21
Relatlv
Retentlo
Tl«e
0.13
0.18
0.18
0.20
Combined
0.23
0.24
0.27
0.29
0.31
0.48
0.53
0.55
0.62
0.69
0.72
0.74
0.76
0.77
0.98
1.00
1.05
1.06
1.24
1.25
1.27
1.29
1.30
1.31
1.32
Amount.
»g/l
—
1-10
1-10
<1
1-10
1-10
1-10
10-100
1-10
<1
<1
1-10
1-10
10-100
<1
<1
<1
<1
1-10
- 8
1-10
<1
<1
<1
1-10
10-100
1-10
1-10
1-10
Tentative
IdwitificMion
Air
Dlaethyl tulflde (B)
Dlchloroae thane
1.1-Mchloroethane -*•
Ethyl laoprophyl ether (T)
Heiene (T)
Chlorofon
Dlchloroethane
Dlchloroethane
Benzene
Dl»ethyl dllulflde
1,1,2-Trlchloroethane (B)
Toluene
1 . 1- DibroMoethane
Octene
Octane
2-Octene H 112
S-contalnlng Unknown
C8ni6 ^occene or trlaethyl cyclop«ntane)
Dimethyl hexene (T)
I S
Ethyl-l-«ethyl ethyl dKulflde C5H13S3
Nonone H128
C10H20 e* ^'"T1 nonene
Unknoon
C10*20 M 5-(1Bt"71-4-non«'>«
l-Decen<
C10H20 "• Otaet"l'1 <«:tene
Decane
t*««t««rittic torn in Man Spectrum
44(100}
62(100)47(82)45(68)4605)61(30) 74(10)108.110(2)
49(100)
«5<100)63C80)43C30>65(28>»8(4HOO(3)
56(100)41(80)5500)
83(100)
62(100)64(75)49(72)
49(100)64(100)62(85)63(45)98.100
78(100)
94(100)46(70)79(60)46(38)
97(100)83(92)61(70)99(60)85(60)132.134(5)136(3)
91(100)92(50)
107(100)109(90)
43(100) 55(78) 70(40)83(20)112(4)
43(100)41(40)56(30)85(25)71(15) S» 114
55 (100)41 (70) 70(38) 112 (30)
80(100)108(95)45(45)64(40)
55(100)41(80(56(60)70(45)112(30)
55(100)41(28)69(22)83(20)126(12)97(10)
75(100)
66(100)122(80)94(55)
43(100)57(85)85(30)
55(100)56(65)69(58)43(50)41(45)58(30)70(20)83(18)140(3)
41(100)43(58)69(50)
55(100)69(70)56(50)41(40)83(20)70(19)140(8)
56(100)55(92)41(85)43(70)70(65)69(55)57(54)81(30)
43(100)55(85)41(84)69(72)56(62)70(45)71(42)7(12)111(5)140(5)
43(100)57(82)41(32)71(27)85(12)56(12)
-------
Co
vo
TABLE A-68. (Continued)
GC
Pnk
No.
30
31
32
33
Relative
Retention
Tiae
1.33
1.51
1.58
1.60
Amount,
cg/l
1-10
1-10
1-10
1-10
Tentative
Identification
hydrocarbon
Undecane
CQ Itetone (T)
naphthalene
Characteristic Ions in Matt Spectrum
55(100)43(95)56(85)41(62)69(60)70(40)42(30)83,97(10)140(5)
43(100)57(90)71(43)85(20)
71 (100)43(65)99(20) 55 (10)
128(100)
-------
TABLE A-69. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 29E
Peek
No.
1
2
3
4
3
6
7
B
9
10
11
12
11
14
IS
16
17
18
20
21
22
23
24
25
26
27
28
29
W
Me*
Ii6
875
972
919
1002
1014
1154
1163
1202
1J15
1239
1297
1302
1354
1376
13SJ
1395
1405
1414
1467
1502
1540
1560
1566
1591
1604
16 IS
1666
1702
171?
AfoouM.
d/l
***
***
**
**
MmtificttMMi
Toluene
Octwiol
MtthylocteiM
Deecne
Propylheptanol
Decene
DlaethyUccene
Dlaethyldecane
Methoxy-Cj-Benieiie
C4-M ,N~Subit .- An iliac
Ieo«*r of 12
l.l'-Blpben;!
>lphenTl Ether t 7
r • is
C > 14 «lkn«
C > 14 tlkine
Fent«d«cux
C > 15 Alk*o*
C > 15 Alkeoe
C > 15 Alkene
Heiudeccne
HexadeCAne
Hexadecenc
Hexedecene
HpetadecAiw
. | • «• .
ChnctirMe km In U*m SpMnnn
91(100)92(51)65(18)51(11)
55(100)41(95)43(60) 70(58)83-20)112(5)
56(100)43(62)41(61)69(30)84(5)91(3)
41(100)55(95)70(70)83(23)97(13)111(6)140(2)
43(100)41(82)57(78)55(71)70(36)85(15)97 (6)140(8)142(1)
55(100)41(94)56(78)60(56)97(11)140(12)
56(100)41(53)69(40)128(11)111(9)168(2)
56(100)55(92)41(89)69(40)83(11)111(9)168(2)
55(100)41(95)70(80)83(48)57(28)168(0.5)
55(100)41(70)69(65)83(37)153(20)168(14)170(2)
135(100)91(98)121(42)150(33)77(30)
134(100)57(44)43(39)71(28)119(28)149(31)
139(100)149(30)120(27)91(20)77(14)
154(100)153(42)152(30)76(24)56(22)135(14)
170(100)51(95)77(88)141(91)142(81)169(28)171(13)
Mixed Spectra
57(100)43(76)71(58)85(30)97(11)111(4)196(1)198(0.3)
55(100)41(79)69(56)83(34)97(25)111(9)196(1)
43(100)57(94)71(70)55(55)85(34)168(1.9)167(1.8)
57(100)43(90)71(76)41(58)85(35)99(8)139(6)168(8)
SOB* •• Above
55(100)60(81)41(69)83(41)97(20)111(21)224(1)
56(100)69(49)41(42)83(25)111(15)224(0.4)
56(100)41(34)57(36)69(32)70(32)83(12)97(8)154(1)
70(100)55(84)41(65)83(40)97(25)111(11)125(4)
57(100)43(75)71(63)55(58)41(55)85(30)
55(100)41 (78)69(59)83(44)97 (39)111(17) 125(5)224(1)
55(100)41(94)43(81)57(59)69(69)83(55)97(35)111(14)168(1)
57(100)43(90)41(60)71(79)55(35)85(35)182(1.5)
Co««ound
Benzene, Methyl
1-Oetanol
1-Octene, Z-Mathrl
1-Decene
l-H0ptenol. 2-propyl
l.Deune
1-Octene, 7 -Methyl
3-Heptene, 2,6-Olacthyl
l^k>d«c>i»
1-Dodecene
Beuene. 2jtotho<]r-1.3,5-Trla«thyl
l.l'-Blphenyl
B«n>en., 1 , 1 ' -CBtjUl. -
Tetradecane
1-Tetradecena
Pentadecane
6-Tridecene, 7-Mathyl-
6-Trldeune, 7-Hethyl-
1-Pentadecene
1-Hexadecene
Henelcotane
1 -Hexadecene
1-Hexadecene
Henelcoianf
tl
54]
680
572
861
520
807
714
696
807
550
514
439
568
497
810
735
782
778
691
828
577
822
792
727
-------
TABLE A-69. (Continued)
oc
tak
Mo.
31
32
33
34
3!
36
37
38
39
40
41
42
43
44
45"
46
47
48
49
[»»«io«
M«
1757
1764
1789
1803
1116
1876
1955
1966
1987
1993
2003
2 155
2196
2292
2357
2396
2553
27SO
2949
Amount.
M/>
***
**
***
**
**
**
~
•*
**
**
**
**
**
**
**
**
**
**
**
TMHMiM
IdMittftcvtion
c > 17 *lt««.
C > 17 A1IUIH
0 17 Alken.
Oetadeccne
C> U Alkan*
0 18 41k«n.
Hepta4«eAfk»l
C > 19 Alk.0.
C > 19 AlkUK
ElcoattiM
C > 20 Alkn«
C> 20 Alfceix
0 21 Alkux
0 22 AU«M
02) Alkenc
C> 13 Alkcne
DOCOMDOl
0 27 Allunc
C ^ 29 Alk.m
OiOTCHriltk to* ta ftto Sptcttwn
56(100)41(51)69(51)83 (29)97(18)111(20)126 (7) 139(1)154(2)
56(100)41(47)70(]«)69(H)83(15)97(10)lll(t)
70(100)55(66)41(54)83 (J8)97(19)lll(»)125<4)
55(100) 57(85)4197 (42) 111(20)125(8) 196(0. 3)
57(100)43(87)41(52)71(69)85(41)99(10)113(6)127(4)
56(100)55(67)57(66)41(55)69(56)83(14)97(23)111(18)126(9)
56(100)57(57)55(54)41(50)70(41)83(17)97(11)111(8)
55(100)57(89)43(83)41(79)69(71)83(75)97(62)111(27)125(12)
57(100)43(88)55(72)41(63)71(62)85(35)97(28)111(13)
55(100)57(74)43(84)69(73)83(64)97(46)111(21)
56(100)57(74)55(72)69(58)83(37)97(28)111(19)
55(100)41(79)43(90)57(88)
55(100)43(89)41(78)69(72)83(89)97(50)111(22)125(10)
56(100)57(78)55(73)69(59)83 (37)97(30) 111(20) 126(7) 139(7)
56(100)57(85)55(79)69(65)83(40)97(39)111(25)195(1.5)
Ooovound
6-Trldec«o«. 7-MMhjrl
1-Ocuoe, 3,7-Dl«thyl-
l.Do
-------
TABLE A-70. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 29E
PMk
No.
2
3
4
5
6
7
1
9
10
11
14
Retention
Index
10S2
1068
109S
1144
1232
12JO
1364
1442
1496
IMS
1911
2086
2111
Amount.
n»
**
**
Identification
C > 6 Fatty acid
C > 1 Fatty acid
Benaoic acid
Methylphenol
Benzeneacetlc icld
Hethoity C,-Alkylbenzene
C > 10 Fatty acid
Dlpheayl ether
C > 11 Fatty acid
C > 11 Fatty acid
C > 16 Fatty acid
Octadecenolc acid
C > 18 Fatty acid
CharaaarMe km In MM Spmnini
74(100)43(83)59(47)87(46)99(22)101(11)
74(100)43(41)41(40)59(23)101(21)127(5)
105(100)77(90)51(76)136(27)
107(100)108(90)77(58)79(50)51(34)63(17)
91(100)65(24)150(19)63(11)
135(100)91(69)121(42)150(32)51(24)65(20) n '•")
74(100)41(44)43(38)101(33)59(24)155(3)
51(100)77(63)141(66)170(65)65(32)115(32)142(44)171(8)
103(100)43(98)71(57)79(46)55(31)61(26)127(3)
74(100)87(57)41(48)55(34)115(19)170(20)141(14)183(2)
55(100)41(95)69(52)74(50)87(31)152(7)194(4)
74(100)87(63)43(53)55(38)143(12)
41(100)55(98)69(50)74(47)87(28)180(2)
55(100)69(53)74(44)87(26)98(16)264(1)
74(100)43(64)87(62)55(42)143(10)199(2)185(1)
Pentanolc «cld.3-a«thyl, uthyl cicer
Uexanolc .cld.5-a.thyl. .ethyl e.ter
Beniolc acid. «thyl «ter
Phenol. 2-Methyl
Bamene acetic acid, lathyl alter
Ben>e».2^tethoxy.l.3,S-Trli>ethvl
Ba«anolc acld.5-a»thyl. aethyl e.tar
Benzene, l.l'-«xybii
Tetiadecanolc acld,3-Hydroxy, acthyl eater
Nonanolc acid, acthyl eiter
11-Octadecenolc acid, aethyl eiter
10-UndeceQolc acid. a»thyl «ater
tl.
500
590
823
TABLE A-71. IDENTIFICATION OF C01-1PONENTS IN BASIC FRACTION OF SAMPLE NO. 29E
Peak
Ho.
1
2
3
4
munllilii
MM
1123
1198
1215
1193
AMOam.
ft*
**
Tamnma
UantifiGatian
MaathylanlltM
Qnlnollne
R-cthyl-0-ToluUlne or C3-AlkylanIllna
Dlathylanlllna
Charartariroc Ion In Htm Spennjm
106(100)121(40)77(13)79(8)
129(100)102(22)128(20)130(10)75(10)63(6)
120(100)135(36)121(11)91(10)77(9)106(6)
134(100)149(38)119(20)91(10)77(7)65(3)
Compound
Pyrldlne. 3 -t thy 1-5 -Methyl
Qulnollne
S.I.
496
757
-------
TABLE A-72. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 30VE
GC
PMk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
ftelatlv*
Intention
Tl«
0.10
0.10
0.10
0.11
0.12
0.21
0.22
0.33
0.70
0.98
1.00
1.18
1.19
1.21
1.31
1.32
1.37
1.38
1.39
1.40
1.44
1.47
1.50
1.51
1.55
Amount.
nit
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
(«)-
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
Tentative
Identification
Air
Butene
Acetone +
TrlchlorofluoroBCthane
Dlchloroethylene
Dichloroae thane
Methyl eye lopentonc
1,1,1-Trlchloroe thane
Trlchloroethylene
Tetrachloroethene
C2- Alkyl benzene
I.S.
C,- Alkyl benzene
Cj Alkyl benzene
C}- Alkyl benzene
Cj Alkyl benzene
Methyl ztyreae
C4- Alkyl benzene (dlethyl) C1QH14
C^ Alkyl benzene
C^ Alkyl benzene (ethyldlMthyl)
C^ Alkyl benzene (Methyl propyl)
C(- Alkyl benzene (ethyl dimethyl)
C4- Alkyl benzene (ethyl dimethyl)
C4- Alkyl benzene (tetr««ethyl)
C,- ALkyl benzene
Ethyl styrene C1QH12
Chencminie lorn m MBS Speetrum
44(100)
41UOO)S«(70)
43(100)58(50)101 f30)103C18)101C2)
61(100)9«(67)98{50)
49(100)
56(100)41(62)69(40)84(4)
97(100)61(66)99(65)63(22)117.119(12)
95(100)130(80)132(70)
129(100)131(95)166(95)
91(100)106(50)
75C100)
105(100)120(30)
105(100)120(30)
105(100)120(2})
105(100)120(25)
117(100)118(50)115(36)91(20)
105(100)119(85)91(30)134(25)
105(100)57(40)119(25)134(15)
119(100)91(30)134(20)
105(100)134(12)
105(100)91(28)134(20)
119(100)91(30)105(22)134(15)
119(100)91(25)134(20)
119(100)91(22)134(20)
117(100)115(30)
-------
TABLE A-73. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 30E
Peek
No,
1
2
3
4
5
6
7
8 I
10
14
15
21
22
23
24
25
26
27
Ma
863
M«
U3
197
901
93*
942
1 948
957
97*
1011
1017
1029
10)9
1128
1111
1151
1164
1261
1274
1457
Amount.
raft
**
Tentative
0-Oxylene
P~Xylene
2-lut.oxy«ehanol
C3-AlkyUenzene
C3-Alkylbenzene
Ci-Alkylbenzene
Methylatyreoe
T
C4-»lkrlbenxene
C4-Alkylbcn>«n«
C4-Alkylbent«nc
C4WUkrlbcn>en«
EChylitrrcne
Ethyl* tyrene
Naphthalene
C}-AUylhemene
Ntthyloapbthalene
NcthylM|ihthalene
r
ChMmrMc Icm in Mw Spectrum
91(100)92 (51)65(16)51(10)
91(100)106(23)51(16)65(14)77(12)
91(100)106(16)77(16)91(15)65(10)
91(100)106(14)77(16)51(17)65(11)61(10)
57(100)45(53)41(52)87(18)
91(100)65(18)120(15)51(15)
105(100)120(27)77(20)91(17)79(16)51(11)
105(100)120(37)91(18)77(23)51(14)63(10)65(10)
105(100)120(18)77(24)79(19)51(14)65(12)61(11)
105(100)120(14)77(18)91(16)51(14)79(11)65(9)61(8)
105(100)12003)77(19)91(15)51(14)79(14)65(9)61(9)
117(100)118(57)91(12)61(26)51(22)
115(100)116(90)63(32)89(22)117(16)
57(100)59(26)115(14)
119(100)134(29)91(40)105(21)77(22)51(16)65(12)63(10)
119(100)91(33)134(25)77(20)51(15)65(11)63(10)
119(100)9(33)134(27)107(22)77(17)51(13)65(12)63(10)
119(100)134(38)91(30)77(17)91(12)65(11)63(8)
119(100)134(36)91(31)77(17)91(14)65(11)63(8)
117(100)91(44)112(29)51(26)63(18)65(17)
117 (100) 115 (40) 132 (31) 91 (23)63 (18)65 (14) 77 (14)
119(100)134(34)91(30)51(18)63(18)65(18)
128(100)102(16)51(18)63(14)129(10)
133(100)148(24)77(20)119(17)105(18)51(15)91(15)65(10)
142(100)141(89)115(60)63(20)51(12)
142(100)141(94)115(65)63(22)51(13)
57(100)71(25)167(31)165(27)137(13)
Compound
Beueoe, Methyl.
Benzene. Ethyl
Benzene, l,2-Dl«ethyl
Benzene, l,4-Dl*eChyl
Ethenol, 2-lutoxy
Benzene, Propyl
Benzene, l-Ethyl-2-Hethyl
Benzene, 1.3,5-Trl*eehyl
Benzene, UIthyl-2 -Methyl
Benzene, 1,2,4-Trlaethyl
Benzene, l,2,4-Trl»eth;l
Benzene, l-Ethenyl-4-«ethyl
Benzene, 1 , 2 -Propadlenyl
Propane. 1 -d . 1-Dlvthyl Eeho*r)-2-Methrl
Benzene, 2-Ethyl-1.4Jlla»thyl
Benzene, 2-Ethyl-l,4-01e»thyl
Benzene, l-tfcthyl-2-(l-Methyl Ethyl)
Benzene. 1.2,4,5>TetraNethyl
Benzene. (1-Ethyl, Fropyl)
lenzene, l-Ethenjl-4-tthjI
Benzene, l-Ethenyl~4-Ethyl
Benzene, 1,2,4,5-Tetteaethyl
Naphthalene
Benzene, l-Ethyl-3-(l-itothylethyl)
Naphthalene, 2Jtethyl
Naphthalene, 2-Methyl
3,6-Octedecaillynolc Acid, Methyl Cater
41.
543
742
698
533
884
443
701
675
660
659
654
468
415
603
523
552
611
522
137
414
541
464
418
715
185
413
325
-------
TABLE A-74. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 30E
PI*
No.
1
2
Amman
Imta
997
1M1
Amount.
•VA
**
TMUtiM
Mmriieonon
Dlxthjrl AnlllM
J
ChnMrMic km m MM Sptanm
106(100)121(60)120(20)77(24)79(18)
100(100)42(14)56(15)70(14)101(6)145(5)
Confound
Pyridln., 3-ttl.yl-4-M.thyl
Oru, TrUchyl HlCroio-
11.
629
34*
TABLE A-75. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 31VI
"CC
Puk
No.
1
2
}
4
5
6
7
8
9
10
11
12
13
14
S^ * -it !vc
IftCllttO
T!«i!
.12
.16
.16
.17
.17
.2}
.23
. ?6
.29
.35
.36
.6il
1.00
Ar»K>unt,
C3/I
-
1-10
1
1-10
10-20
<1
<1
<1
<1
<1
<1
<1
-(0)
Tcntattvo
Identification
Air
Arecone
Dletliyl ether
Dlchloroncth.in«
Chloropropene
CMoroforn
Diisopro^yl ether or Dlpropoxy ethane
1 ,1,1-rrlclilorocthane
Benzene
DJchloropropane
Trlchloroethyleue
I.lt2(2-Tctrnch]ot0(re£lienc
I.S.
ClutKtemtk: lorn in M*u Spectrum
44 (ICO)
43(100)58(30)
59(li;0)45(96)74(55)
49(100)84(52)86(35)
41(IO.-))19(f)8)76(35)45, 78(12)
83(100)85(67)
45(100)41(43)37(18)59(10)69(4)
42(100)41 (89) 55(5/) 39(33) 72(38)71 (37)90(1!))
97(100)91(67)61(43)119(17)
78(100)
63(100)62(75)41(68)39(50)65(30)77(27)76(26)
95(190)130(90)132(87)97(62)
131 (100) 166(82)129(78) 164 (67)
75(100)77(33)
-------
TABLE A-76. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 31VE
P«k
No.
1
2
3
5
f>
7
8
9
10
25
lelative
letentlo
Time
0.14
0.15
0.17
0.23
0.29
0.31
0.31
0.33
0.45
0.50
0.57
0.59
0.62
O.66
0.72
0.82
0.88
0.96
0.97
1.07
1.19
1.23
Amount.
pg/l
1-10
10-100
10-100
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
10-100
1-10
1-10
10-100
10-100
>100
1-10
>100
10-100
1-10
1-10
»100
Tentative
ld.ntific.tion
Air
Acetone
Methylethyl ketone
1 ,1 ,1-Trlchloroethane
C7H14> e.g., 2.3-DlMthyl-l-pentene
Unknown hydrocarbon
Hethyllaobucyl ketone
C7H12- e'8-t Hethyl hexadlene
C7»12
C8H16- ••«•• Dimethyl he>ene
€7 Ketone, e.g., 2,4-Dl»ethyl-3-pentane
3-Methyl-2,4-pentanedlone (T)
4.4-Dlnethylheptane (T>
C8 Ketone, e.g., 4-Mechyl-2-heptanone (T)
Cyclooctatetraene (T)
Trlaethyl cyclohexane (T)
Unknown
nknmm
-Ethyl-1-heianol
Charnctemtic loni in Mim Spoctrum
44(100)
41(100)56(40)
43(100)58(25)
43(100)72(20)
97(100)99(70)61(45)117,119.121
43(100)86(12)41(11)71(3)
78(100)
41(100)69(95)55(45)70(35)83(20)98(10)
81(100)41(82)67(65)53(60)79(50)96(48)
43(100)58(30)57.41(20)85(12)100(5)
81(100)79(50)96(48)53(47)41(40)
81(100)79(52)96(45)53.41(40)
69(100)41(88)55(40)70(35)112(30)
57(100)41(32)114(11)85(5)71(3)
43(100)57(38)85(30)41(28)72(22)129(3)131(2)166(2)
43(100)71(30)41(12)55(10)70(9)86(8)
43(100)72(28)71(15)99(3)114(3)
43(100)85(30)41(25)71(20)
43(100)72(35) M100 C6H120
43(100) S8(«3) 59(30) 57(28)41(22)85(15)
91(100)106(35)
104(100)78(50)103(40)51(33)77(30) Big One
109(100)67(68)91(50)124(20)
69(100)43(85)41(70)84(50)57(30)
105(100)120(25)
67(100)109(95)124(40)
3(100)71(95)70(28)41(18)
7(100)43(51)41 ( 38) 55(35)69( '3)83(12)97(2)
-------
TABLE A-77. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 31E
GC
Pwk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
IS
16
17
18
1*
20
21
22
23
24
25
26
27
21
29
Index
807
818
.823
850
85S
864
M9
883
924
935
982
1031
1061
1082
1087
1108
1119
1137
1164
1187
1193
1201
1207
1217
1229
1561
1690
1718
2408
Amount.
K8/I
***
***
**
**
**
**
**
***
***
***
***
***
**
**
**
"
**
**
*«
**
**
*•
**
**
**
**
*
**
**
ktatMcMion
Heptane
Hethylcyclohnune
C > 8 Allan*
Tolixiw
C > 8 Alkuc
Alkrl Ether t
EUtjrllxiiuiM
St)TT«»
C > 9 Alkox
C3-»lk7lb«ii«n«
Cj-AlkylbMUM » 7
H>th7lh«pCanDl
ilkjl-Alcohol C > 8
Alkyl-Alcohol or AU 12 Alkcn*
Alkyl-Alcohol or Alton*
Alkyl-Alcohol or Alton*
Alkyl-Alcohol or Alton*
Alkyl-Alcohol or Alton*
1 -Pheny 1 - 1 -Proptno 1
Subit . -Styrenc
,
Subit.-Styrene
Subat. -Benzene
CiMncMnnic IOM in MH§ Sp*cmini
43(100)57(60)71(56)78(15)100(10)
83(100)55(97)98(39)40(39)56(44)
41(100)57(76)69(70)85(28)58(8)1.4(1)
91(100)92(80)65(22)63(15)51(13)50(9)
43(100)85(66)57(49)73(22)99(6)114(2)
43(100)59(53)85(23)99(15)100(0.6)
91(100)106(25)107(2)
104(100)78(68)103(48)51(36)105(8)
43(100)41(98)69(94)84(48)103(2)104(1)
105(100)120(21)77(27)79(23)51(22)43(17)
57 (100)77 (94)41 (88) 105(69) 106(65) 120(1) 125(1)
57(100)43(96)55(88)41(78)69(82)70(50)83(34)84(32)97(12)
55(100)41(99)56(98)69(60)84(41)122(1)
43(100)55(77)41(72)57(63)69(54)63(24)121(21)
57(100)41(73)69(70)55(50)83(12)111(6)
69(100)55(98)41(87)83(29)97(14)
43(100)59(55)101(52)57(50)85(26)83(19)127(4)
43(100)45(49)73(46)55(45)87(38)131(0.6)
53(100)41(70)69(54)57(42)97(30)83(24)115(3)
41(100)55(94)69(95)83(68)57(65)
37(100)41(81)69(83)3609)55(57)112(12)
55(100)41(80)69(76)83(25)112(17)111(15)
69(100)43(79)41(77)70(55)55(53)112(16)
55(100)41(44)83(39)69(21)97(18)
77(100)105(99)51(51)136(2)
104(100)78(28)51(13)178(2)165(1)
91(100) 57(73)43(68)41(52)71(46)130(17) 208(6)
104(100)78(22)51(10)178(4)179(3)
91(100)117(20)65(14)77(12)51(6)207(5)208(2)
«lfinOH2'>20S(M
Compound
Heptane
Cyclohexin*, Methyl-
Heune, 3,4-Dlaethyl
Benzene, Methyl
Benzene, Ethyl
Benzene, Ethenyl
Heune, 2,3,3,3-Tetr*-Metbyl
Benz*n*. U -Methyl Ethyl) -
1-toptenol, 6-Hethyl-
l-0ct*nol
1-BepUnol, 6 -Methyl
l-»ept*nol, 6-Methyl-
4-Decene
3-Hezanol, 2.4-01<»thyl
l-Hept*nol, 6-Hethyl-
1-Pentadecene, 2 -Methyl -
l-Dec*nol
Iioctane, (Ethenyloxy) -
1-HenteM, 6-Meth]rl
l-Hoocn«
S.I.
.103
688
593
369
542
749
622
619
661
898
772
637
616
670
577
746
736
787
560
623
527
—— '
-------
TABLE A-77. (Continued)
oc
tak
No.
31
32
13
RMMtiOn
.MBt
2516
2529
2611
AmwM.
«•/!
***
**
#*
TMMm
•dMIfiation
Subit . •BcnxciM
Sub*t..B«iB«fi«
Subat.-B«a*«M
Ch«el»riMic lam in Htm «pKtnn»
»1(100) 129(63)207 (23)77(19)206(10)208(4)
91 (100) 129(70)207 (30) 105 (25) 77 (22)
91(100)129(40)104(37)77(20)65(16)207(9)208(9)
Compound
-£T
CO
-------
TABLE A-78. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 31E
4s-
vO
GC
••*
No.
i
2
]
4
5
«
7
1
9
10
11
12
13
1*
IS
16
17
18
19 -
20
21
22
23
24
2}
26
27
28
29
naianiiuii
138
142
152
(61
•M
•78
882
8*3
MO
902
912
928
940
942
948
957
974
981
994
1005
1061
1069
1089
1097
1105
1119
1133
1159
1163
1166
Anwm.
aft
+*
*
**
-
M
**
**
**
**
**
**
***
**
**
**
***
Mr*
***
***
****
ft*
**
**
**
**
**
**
**
**
**
TMMM
C > 6 ratty Kit
C > 6 7«tty acid
C > 6 r«tty «cld
C > 7 Fatty acid
C > 7 r«tty icld
C > 7 F«tty «cld
C > 7 Mtty acid
C > 1 Fattj acid
C > 7 Facty acid
C > 7 ratty acid
C > 7 ratty acid
C ^ 7 ratty acid
C > 7 ratty acid » 1
C > 7 ratty acid » ?
C > 8 ratty acid
C > 8 ratty acid
C > 8 ratty acid
C > » ratty acid
C > 8 ratty acid
Baniolc acid
C > 8 ratty acid
C > 8 ratty acid
C > 9 ratty acid
C > 9 ratty acid » 7
C > 9 ratty acid
C > 9 ratty acid
C >_ 9 Fatty acid + T
C £ 9 Fatty acid
C > 9 Fatty acid
C > 9 Katty acid
OaranarMc lorn to Ma. Spactnni
74(100)43(31)59(28)99(15)101(14)
74(100)87(63)55(51)43(48)57(42)99(30)104(22)
•8(100)43(36)87(38)101(36)69(25)74(19)113(8)
88(100)57(33)41(27)87(19)69(17)113(6)115(5)
(8(100)37 (26)41(18)59(16)87(11)115(6)113(3)
74(100)87(74)43(41)59(35)69(33)101(32)113(20)129(2)
74(100)43(36)59(27)73(26)101(24)113(14)
87(100)74(99)55(67)41(46)73(41)59(36)115(28)113(24)
87 (100) 102(61)55(30)57 (22)115(19) 130(10)143 (2)
87 (100) 107 (64)116 (44)57 (35) 127 (4) 129(4)
18(100)101(32)57(28)69(24)41(23)129(1)127(5)
74(100) 101 (34)43 (26) 59(20)18(19) 127 (6) 143 (2)
69(100)41(54)87(56)55(43)84(36)116(11)
88(100)57(62)41(37)74(42)111(26)127(15)143(12)
87(100)102 (70)41(38)55(36)S7(34)69(2»130(12>
74(100)87(37)55(34)43(28)609(23)115(15)127(11)
74(100)87(65)41(38)69(34) 101(32)55(27)59(25) 127(14)129(>)
74(100)101(32)59(16)69(14)17(11)127(10)143(1)
74(100)55(74)115(75)83(68)87(64)59(34)109(26)127(12)
105(100)77(66)136(36)51(21)115(4)
74(100)101(60)41(30)55(21)115(14)123(10)141(6)
17(100)74(51)55(41)57(44)99(11)115(14)141(9)157(2)
11(100)101(99)17(82)41(41)69(41)43(41)129(20)141(7)143(6)
17(100)101(88)74(74)55(65)102(73)111(46)143(46)
81(100)101(68)69(37)43(37)55(36)129(19)143(10)
74(100)55(62)67(61)41(53)97(40)115(31)129(34)143(4)
74(100)81(29)55(27)17 (20) 129(17)143(17) 155(3) 157(3)
74(100)55(46)13(40)11(37)115(30)17(25)157(11)
74(100)101(41)55(24)69(24)137(8)155(4)157(3)
74( 100) lli( 18)55 (26)41(22) 15K20) 143(8)
Compound
Pantanolc aeld,3-«thyl catar
laniolc acid, K.I.
Nonanolc acid, nathyl aatar
Ondccaoolc acld,2-MthyI, aathyl aatar
Hepunolc acld,2-
-------
TABLE A-78. (Continued)
oc
No.
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
43
46
47
41
49
1169
117*
1176
1184
1190
1199
1203
1211
1215
1217
1221
1232
1234
1231
1911
1978
2080
2111
223O
2512
Vt/1
**
**
**
**
.»
***
**
~
**
**
**
**
**
**
»
**
"
**
-
**
Tentative
WOnlifiCMMNI
C > 9 Fatty acid
C > 9 F«tty acid
C > 9 Fatty acid
C > 9 Fatty acid + 7
C > 9 Fatty acid
C > 9 Fatty acid
C > 10 Fatty acid
C > 10 Fatty acid
C > 10 Fatty acid
C > 10 Fatty acid
C > 10 Fatty acid
C > 10 Fatty acid
C > 10 Fatty acid
C > 10 Fatty acid
Hexanoic acid
7
C > 16 Fatty acid
C > 18 Fitty acid
Subat. phanantbrena carboxyllc acid
Subat. phanaiithrena carboxyllc acid
O»aM»Hl«. lam In Maai Syanwii
74(100)101(49)69(26)55(19)59(19)143(8)
74(100)87(95)55(55)69(47)113(30)143(16)155(8)157(4)
74(100)101(83)55(30)69(29)87(30)143(7)155(6)171(2)
74(100)101(86)55(33)97(22)87(20)143(5)155(4)157(3)
87(100)74(67)55(52)97(24)143(8)155(4)157(2)
87(100)74(54)55(46)57(38)97(22)155(4)
87(100)74(54)55(44)113(15)143(5)155(6)171(1)
101(100)87(99)75(81)102(67)69(62)113(37)155(16)143(6)
74(100)87 (60)97 («»69(57>55(54)41 (47) 129(42) 137 (17)
74(100)55(00)83(65)87(39)111(35)143(28)
74(100)115(54)55(48)87(40)83(34)137(14)143(3)
129(100)97(66)69(65)87(54)74(47)41(41)55(40)137(11)
129(100)97(66)69(60)74(54)87(55)55(43)137(11)
111(100)83(99)74(82)55(81)87(67)143(56)154(4)
74(100)87(85)55(28)143(24)227(6)
134(100) 107 (32)79(29)57 (24) 166(21)167 (21)234(5)
55(100)69(72)74(70)83(62)87(54)97(56)180(10)264(8)
74(100)87(86)143(31)55(29)199(14)
121(100)91(24)105(19)241(3)316(2)
121(100)81(35)107(30)189(27)302(3)303(2)347(1)
Compound
Hexanoic acld,5-a»thyl-a«thyl eitar
Tetradecanoic acld,12-Mthyl-acthyl eatar
Octancdlolc acid, diatthyl aatar
Dodacanolc acid.lO-MaUiyl-Hatkyl aatar
10-Octadacanolc acid, «athyl estar
Renelcoaanoic -acid, atthyl eater
S.I.
« 1p3
410
415
420
596
441
537
TABLE A-79. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 31E
OC
M.
No.
MM
Kautrel coacounda we ao conceatr.
1
Bo hulc rnmraiiH. Mra Identlflad
CKneiarMk km to MM Spamm
tad that thar nra alao e.tracted Into baalc fraction.
1
ia tola fraction.
Compound
S.I.
«1(P
-------
TABLE A-80. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 32VE
GC
Peak
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
Relative
Detention
TllH
0.19
0.24
0.25
0.25
0.26
0.30
0.33
0.35
0.35
0.36
0.40
0.43
0.44
0.59
0.83
1.34
Amount,
M«/l
10-100
10-100
1-10
1-10
10-100
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
Tentative
Identification
Air
Dlchloroaethane
Cyclopentadlene
Cyclopentene
1 Fentene
Clorofom
Benzene
C,.!!,, eg Cyclohexadlene
CfPa eg Cyclohexadlene
CtHln eg 2,4-Hexadlene
Cyclohexene
BroKodlcnlorone thane
Tetranethyl butane (T)
Unknown
CgH eg 4-Vlnyleycloh*xene
Dlcyclopentadlene
ChacacMrntk lorn in Man Spectrum
44(100)
49(100)
66(100)65(70)40(40)
67(100)68(45)53(20}
42(100)55(35)70(25)
83(100)85(70)82(40)47(38)53(30)85(10)
78(100)
79(100)80(50)77(45)
79(100)80(55)
67(100)82(22)41(21)
67(100)54(70)82(35)41(33)
83(100)85(70)47(28)127.129,131
57(100)41(32)56(30)43(22)
43(100)71(48)70(30)84(29)91(18)94(13) (Weak, apectnn)
54(100)79(60)66(40)80(30)
66(100)65(20)
-------
TABLE A-81. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 32E
Wn
ec
fMk
No.
1
1
3
4
5
6
7
1
9
10
11
12
11
14
15
It
17
11
MK
862
867
aai
948
»57
972
11S1
1191
1263
1276
12M
1304
1391
1433
14*1
1553
1633
1700
/MwiMt.
It/I
"
*»
**
*•
**
**
**
***
M
**
**
**
«*
**
**
•*
T«tt»iM
Cj-Alkjlbenxiw
Cj-JUkTlbcnzmu
T
Indou
Itochjrllndene
H«thjlllid ?
Tctrahydrothlophene l(l-Dloxldc C&&2S
* !!nlf,.r-fn«r.<.l.. ro— ~.~4
HctbjrluphchalcM
HtchTlixptithaleoi
DUnrdro dlKthTllndciK
Tctr^hjrdrodUccbyluphttxleix
Alkyl alcohol C > 12
Sutut. tUylbmx.0. » T
Sutut. tlkylbmun* T
Mlxtur* T
Subic. >lk7lb«iuii« » ?
Sutoc. •IkyllnnniM
Onnt^illk lorn In Utm Sf*anm
105(100)91(46)51(38)120(34)77(35)
105(100)91(26)51(32)120(34)77(38)
66(100)51(11)78(7)77(6)
115(100)116(90)89(22)63(35)51(20)
115(100)130(73)51(35)63(29)77(26)117(29)131(13)
115(100)130(82)129(62)51(28)63(26)77(20)
128(100)102(15)51(16)63(14)74(12)129(12)
41(100)56(56)55(50)120(14)64(8)
142(100)141(89)115(61)63(20)89(12)51(12)143(13)
142(100)141(94)115(64)63(21)89(12)74(11)143(12)
131(100)146(58)115(42)103(37)63(35)51(25)77(23)91(20)
115(100)117(97)160(52)43(41)145(37)91(35)63(31)
69(100)84(87)43(62)55(46)131(8)174(5)
104(100)77(36)91(25)63(19)51(18)69(15)148(12)
117(100)118(92)91(32)77(24)51(21)63(18)162(6)
98(100)79(71)77(47)70(31)41(29)152(26)175(31)
91(100)77(92)51(60)105(55)130(55)144(40)172(25)190(12)
91(100)77(78)79(71)117(60)143(55)65(40)186(22)204(22)
»wO*l HMNIIMM BidMnn MMch
Compound
KOICIX , l-tthjl-2-Hethyl
IH-lndene
lH-Indei».3-H«Chrl
Ax u ten*
Thloplxne . tet rahydro-l . 1 -dioxide
N«phth*l«n«,2-««thyl
Naphch>l«>c.2-Mtli;l
N.phth.lm..l,2,3,»-t«trrfi7dro-l-l-dl«th
S.I.
431
398
368
559
414
349
437
1 340
-------
TABLE A-82. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 32E
tn
OJ
oc
ft*
No.
1
I
3
4
5
«
7
1
9
10
11
12
1071
1065
lit*
1JSO
1321
1339
1343
1)51
13S6
1361
1555
1692
**
"
***
*
**
**
*•
•*
**
**
**
**
?
?
7
HTdroxybenxolc meld
T
r
Subct. MphthaloM
SulMt. aaphcl»I*iM
Sulxt. uphtluluie
t
1
T
Oi«^l«»Ui. km in MM ^ctnim
66(100)91(22)65(19)55(16)77(14)121(5)152(4)
M (100)91 (22)65(20)55(18)77(12) 121 (5) 152(5)
41(100) 56(62)55 (54) 120(3»)«(24)fr4(23)
134(100)106(48)105(47)77(46)166(44)135(30)
172(100)157 (72)»7 (63) 113(5»)125(48)79(41)59(M)45(27)
95(100)126(90)91(36)77(24)148(14)147(8)
1«6 (100)59(66) 171 (60) 127 (51) 139(42)45 (21)
186(100)171(64)111(50)127(44)139(44)59(42)
186(100)1U(66)171(44)59(35)93(31)127(30)155(1»
117(100)186(59)111(64)115(62)59(44)77(22)171(25)
129(100) 128(88)188(39) 127(36) 153(28)212(4)
126(100)79(76)77(36)175(59)147(24)202(7)
Compound
Mn*olc «cld,2-*rdro*7-6-«*ctiyl, -ethyl ••
5.1.
i 103
r 564
TABLE A-83. IDENTIFICATION OF" COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 32E
oc
fttk
No.
1
2
3
4
Mu
1109
1172
1225
1232
Amount.
«*A
*
***
*
*
TMWfcW
IdMttficMMM
C4-Alh7lpjrrl41a<
Mliitart, Sulfaln* •» 7
DliKChylquliialliw
Mixtur* ?
O»»»i»Uc lorn In Mo» a^anm
133(100)134(61)120(26)79(11)77(13)91(15)
41(100)56(59)55(54)120(50)64(18)148(10)149(5)
157(100)113(20)142(13)156(23)158(13)89(1)
131(100)121(78)103(52)91(42)77(28)146(40)206(2)
Compound
Frrldln*. 4(l,l-01«thrl Ethyl).
TblopheiM, Tttrahjrdro
Qulnoltne. 2,4-Bl«thyl
lU-Iivi«n«-l,2-Dlol,2,3-Dlhrdro-l-M*thrl
&l.
.103
263
294
600
583
-------
TABLE A-84. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 33VE
GC
Peek
No.
1
3
4
5
6
7
8
9
10
11
12
13
It
15
16
17
18
19
20
21
Relative
teteatlor
TIM
0.13
0.16
0.16
0.16
0.17
0.17
0.21
0.2J
0.26
0.28
0.33
0.38
0.42
0.48
0.83
0.92
1.00
1.21
1.23
1.44
Amount.
ft/I
1-10
1-10
1-10
10-100
1-10
•>.!
1-10
•vl
<1
1-10
<1
<1
<1
<1
<1
8 -
<1
1-10
•v.1
Identification
Air
Acetone
Dlethyl ether
D Ichloroe thylene
DichloroM thane
Dlcyclopentadlene
Hethyl ethyl ketone
Dllsopropylether
1 , 1 , 1-Trlchloroethjne
Benzene
1 ,2-Dlchloropropene
Methyl-t-butyl Ketone
C8B16 '• 2.*,4-trl-«thyl-l-pent«n«
«A.
Vi.
C2- Alkyl benzene
I S
C3 Alkyl benzene
C4 Alkyl benzene
C^ Alkyl benzene
Ouracutistic lorn in Mm Spectrum
44(100)
41(100)56(66)
43(100)58t25)
59(100)74(72)45(70)
61(100)96(40)63(30)98(28)
49(100)
66(100)65(70)40(48)
43(100)72(20)
45(100)43(48)87(20)5900)
97(100)99(60)61(60)117, 11°. 121-
78(100)
63(100)62(68)41(65)76(40)
57(100)41(70)43(48)100(15)55(10)
57(100)41(55)55(35)69(10)97(10)112(10)
55(100)97(50)41(45)69(25)112(20)
55(100)83(90)41(45)69(30)
91(100)106(40)
75(100)
105(100)120(35)
119(100)91(28)134(20)
119(100)91(30)134(20)
-------
TABLE A-85. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 33E
Ln
Ln
oc
tak
Ho.
1
2
3
4
5
6
7
1
9
10
11
12
1]
U
15
It
17
1>
19
20
RMMtiOl
MM
Ml
867
«70
895
906
998
1021
1034
1041
1076
1090
1223
1277
1288
1395
1432
1460
1479
1544
156O
Amount.
tVI
**
**
**
** -
**
ft*
**
**
**
**
**
**
**
**
**
**
**
**
ft*
**
Tmtriw
MMitific»lioii
Tolura«
Alkjrl-«ttMr
Echyl beos*o*
Alkyl-«ther
C-9Alk.« CAjl
Alkcnyl alcohol or Alcohol
OteChylnoneoe) CinHM
Ci-Crcloh.«nol C10HM0
C^-eyclohexenone CqHlaO
Cj -€yc lohcxciumc
C^ -Cyc lohexadleaooe
AlkylejrclolMxAnone
Mixture T
I«wer of * 13 ?
?
Alkyl-lnd.n.
?
7
Noronethlol
Alkyl-alcohol
CtaracwMk lorn 1* MM Stwtnim
91 (100)92 (M)65(24)51(14)93<«)
59(100)57(40)41(22)43(19)115(3)97(1)
91(100)106(48)105(19)77(19)63(10)
43(100)41(75)57(94)59(74)55(36)72(59)71(42)101(12)
67(100)109(50)41(44)43(42)81(39)124(19)
43(100)72(66)57(51)41(32)83(9)85(4)99(6)
41(100)55(94)69(54)85(59)109(29)120(8)140(19)
66(100)109(64)81(56)41(50)43(49)57(40)81(58)124(27)138(6)
67(100)95(88)96(54)41(47)81(45)110(29)138(33)139(3)
123(100)95(83)67(58)41(34)55(22)110(19)138(35)139(4)
79(100)77(42)136(4)
43(100>41(67)56(75)69(52)84(21)9«(15)114(13) 126(8)
56(100)41(78)85(24)55(25)121(7)149(2)140(0.2)
56(100)41(74)85(18)121(4)149(5)
77(100)65(99)91(85)111(58)154(55)
41(100)83(84)69(85)84(80)55(7«>57 (75)165(45)180(20)221 (3)
69(100)43(62)41(50)84(44)55(37)127(8)191(3)205(2)
69(100)41(58)55(58)84(16)95(18)177(8)
55(100)56(84)69(88)41(60)84(34)98(16)160(7)
41(100)70(85)55(63)69(57)83(15)163(11)
Compound
>ra»oc,H«Chjl-
Pnpue,l-(l,l-dlMtli;l (Choir) -2-Mttyl
Hetluniettert-butyox]rliopropoxy
Peotaae. l-(l~but*nyloxy) .
Cyc lotMxaoo 1 , 4 -««c-buc j 1
2^rcloh«nii.l-oiw,3.4,4.trlBcthyl.
Cyclohouone.2-(l-MthyUiidcDe).
2,5-Crcloheudt*n-l-on*,3,4,4-crl«thyl
Cycloh*unooe,4-«t:hyl
1-NonaiMthlol
4-UKiec.nol , 7 -«tbyl-2 -MChyl -
S.I.
360
508
529
631
354
653
405
361
536
595
469
-------
TABLE A-86. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 33E
GC
1
2
3
4
5
6
7
13
ruujiuui
tada*
Ml
997
100*
1017
1026
1037
1044
1117
Amount
ft/I
**
**
**
Tantattva
Uamfficatioa
7
C > 6 P«ttr acid
t
t
Iioaar of M
t
t
•owlet of n
C > 8 fatty acid 4 t
c > a Fatty «cid
C > a Fatty acid
Charadarttic lam In Maai Spaetnim
37 (100) 101 (68)41 (M) 116 (28) 73 (20) 157 (7) 87 (6)
41(100)57(64)101(72)116(70)73(21)97(11)87(4)137(2)
41(100)113(100)17(40)130(38)43(34)59(31)83(22)102(22)
66(100)35(24)91(18)17(16)121(6)132(3)
66(100)53(15)91 (10)87(9)77(1)121(4) 152 (3)
102(100)43(69)41(61)73(50)83(35)87(30)143(2)157(1)
80(100)79(40)55(14)91(10)65(3)135(3)
102(100)43(45)41(34)87(23)71(14)53(14)127(2)143(1)
71(100)115(59)43(59)57(51)130(36)143(8)151(3)
101(100)41(34)55(40)69(32)116(34)130(10)144(6)157(2)
101(100)41(94)130(27)71(25)43(25)115(14)144(6)
116(100)41(99)71(51)55(42)101(94)127(18)157(3)151(2)
101(100)116(56)43(56)41(48)115(32)158(8)157(4)
102(100)57(66)41(42)43(30)71(34)83(26)115(11)171(3)
Compound
Bnaoole acld,2juchyl-2-Prop;l-a«tli;l
M^^
il.
« 103
_«4_
TABLE A-87. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 33E
GC
•aak
No.
Amount.
W«
TaMatio*
ManttficMioii
TrixthrlpjrrldlM
TrUKthylpyrldlaa
1.6-DUachyl-4-Sth]rlBrTldlaa
C4-Alkrlprrl4Ua (I«OM»r of *4)
Cj^lkylpjrrldlM Ml 149
AUjrlchlopbra*
ChataoariKk Ion. to Ma* SpOTvm
121(100)120(31)79*22)77(14)106(19)122(10)
121 (100) 120(74) 79(26) 77 (11)51 (12) 106 (18) 122 (9)
135(100)134(66)120(30)91(16)79(16)77(14)136(10)
135(100)134(62)120(25)79(17)17(14)91(14)136(10)
43(100)57(64)81(34)114(50)129(64)121(8)
148(100)149(46)150(4)121(18)91(9)77(10)
41(100)36(93)15(43)121(22)149(16)
125(100)140(81)97(10)51(43)77(39)109(17)141(1)
Prrldlna, 4-M.thjl-
PrrldlM, 2.3.5-TrlMthTl
Prrrldlna. 2,3.5-Trl»ethTl
Htthaaa^nc, M.(Ph>nrla»thjln«) n-thild.
7(lll).rtarldl>oo<
Thlophana, 2-(l.l-Dl»thrl ethyl)
^^•aa
' S.L
350
208
-------
TABLE A-88. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 34VE
GC
No.
*
5
«
7
8
9
10
11
12
1]
U
15
16
17
is
19
20
21
2*
2)
24
26
Ulatlv
tetent
Time
0.14
0.16
0.17
0.22
0.24
0.24
0.25
0.27
0.27
0.2J
0.44
0.48
0.51
0.55
0.54
0.61
0.61
O.»0
0.97
.00
.21
.2}
.40
.58
.59
Amount.
ft/I
10-100
1-10
1-10
10-100
10-100
10-100
1-10
1-10
1-10
1-10
1-10
1-10
10-100
10-100
0-100
0-100
1-10
1-10
0-100
8-
1-10
0-100
1-10
>100
1-10
Tomotn*
MMificatno
Air
«4»«
Fur an
Dlchloroojethaoc
Chloroprene
Ulhydrofuran
Chloroprena
Chlorobuean*
Cretan aldehyde or dlhjrdro pyron
CjKtO * l.l.l-trlchloroetlu«
BCOSCBC
C»H16- ••«•• 2.*.*-TrIiMtli)rl-l-|)«iiten«
Vl*
Chlorobut.ne t MehlorobutaiM (K126)
Dlchlorotmunt -f Chloiobutcn*
Dlchlorobuceac (M124)
1,2-Dlchlorobuune (H126)
IchlorobuUM
4H6C12. e.g., l,3-01chloro-2-«ethyltn«
ropuie
,4-Dlchlorobuc- 2-«M
S.
1-iaobucene
nknovn
H,C1. e.g., (l-Chloro*thyl) benzene
knovn
5-Dlchloro-cyctooct«-1.5-d£en« (T)
CtaracMrinic lorn in MM SpMnm
44(100)
56(100)41(70)55(45)
68(100)69(3)
49(100)
53(100)8X98) 50. 51(48)90(30)
70(100)41(70)40.42(40)69(32)
5}(100)B8(75) 50(30) 51(30)90(90)
55(100)90(50)53(38)92(20)
70(100)41(70)69(45)
70(100)41(68)97(80)99,101.117,119,121
78(100)
7(100)41(48)112(28)97(20)
7(100)112(40)55(38)69,41(15)
3(100)62(98)55(60)96(40)
3(100)62(98)55(48)90(40)
5(100)58(50)89(45)77(30)
5(100)77(82)41(68)71(40)96(22)
5(100)41.77(80)62,76(35)90(20)
8(100)70(50)53(48)90(33) S. 124,126,128
(100) 53(70)89(60)88(55)77(33)62(28)124(20). 126, 128
(100)
(100)41(25)97(20)112(15)168(14)
(100)57(55)112(25)41(22)69(20)83(18)168(12)
3(100)140(30)103(40)77(30)112(25)142(20)
3(100)105(60)88(55)77(40)141(20)176(5)
(100)53(40)105(30)141(25)
-------
TABLE A-89. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 34E
oc
FMt
No.
2
3
4
5
6
7
>
9
10
11
12
13
14
15
16
17
U
19
20
Rmntkm
Index
896
907
997
1007
1187
12 0»
1212
1225
1231
1266
12B4
1311
1317
1339
1351
1363
1375
1393
1437
Amount.
KtA
**
**
•*
**
•*
TMUtm
Uontifieitioil
Ethylbeuen*
0-Xylan*
F-X;leoe
l-Prop«ne,2-Mthrl trlaer
l-Propeae.2->ethrl trl«er
Chloro- 7 Miltun
l-Chloro-5-(l-cliloro«th«nyl) CTclohcxena
Itamfl at »8
I»o«.r of M
T
Alk]rl-k«tOBe C > 10
1.3->ut>dl«st.2-clilaro. dlMr
l,Vrop«i<,2-«th]rl-tetru«r
I>c_r of «13
J
7
?
Acetic melt C > 8 rater
Acetic acid C > 9 flBKer
amtamun lorn In MM SpKtnim
91(100)106(71)59(32)57(30)43(28)77(24)92(16)
91(100)106(49)43(20)105(21)77(16)57(15)
57(100)41(56)97(13)112(7)168(4)
97(100)57(98)41(72)69(40)83(24)112(23)168(10)
123(100)55(90)70(86)77(54)95(30)105(23)158(7)160(2)
123 (98)77(96)53(95)70(92)9: (76)105(62)158(18)160(6)
88(100)105(92)51(70)141(59)113(44)143(18)176(16)178(11)
67(100)123(99)102(75)53(68)88(60)176(4)178(1)
67(100)88(83)123(76)53(66)95(69)102(31)158(12)160(4)
43(100)112(92)97(63)69(60)67(39)125(15)146(12)
43(100)127(20)111(16)85(14)71(14)153(2)168(1)
81(100)53(96)105(60) 141(58)91(45)143(18)176(11)178(0.4)
57(100)41(36)55(16)97(10)83(8)113(8)140(1)
57(100)41(34)55(32)97(31)70(28)112(16)176(1)178(0.6)
104(100) 106(38)41(18)53(17)157(5)158(1)
104(100)77(75)157(61)91(58)51(41)159(20)192(3)194(2)
104(100)106(32)69(26)53(20)157(12)159(4)
84(100)69(97)41(59)43(46)70(37)55(32)157(0.4)
84(100)69(94)41(»J)43 (78)55(40)48*4)180(2)177(1)
Mo« B—.n...!. B«n»o Ited.
Compound
Dencene , 1 ,4-DlMthyl
Benzene, 1,2^1 l>echyl
l-Prop«iM(2-aeth]rl(trlaei
Crclohttx*ne.l-chloro.5-(l^:hloroethenyl)
l-Hept)ro«,:>-«tba*;-3,4-dlMI:hrl
l,3-luudl«a«.2-chlora-dlMT
l-Propene,2.««chylttetr>aer
Acetic acid, octyl Mter
«.-
326
416
544
582
603
4(1
422
546
510
-------
TABLE A-90. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 34E
Ui
VO
oc
P«k
No,
I
2
3
^
5
t
7
>
*
10
11
12
13
14
15
16
17
18
It
20
21
22
RMMtiO
MK
(42
1017
1026
1042
1090
1113
1211
1226
124}
1276
1316
1324
1353
1362
1374
1360
1502
16M
1726
1815
2315
2425
Amount.
«g/i
**
**
**
*+
im
**
**
**
**
*•
**
**«
•*
«k*
**
**
***
*•
**
**
Utndtimion
C > 6 Fatty add
7
Hcthyl crclohcxatM-l^arboiyllc «cld
7
t
?
AUjrlphmol
Sub«t. B«tt«MBulfonic acid
SulMt. Scncenttaulfonlc acid
Subtt. B«Di«iMiulfonlc acid
Bmunaaulfonlc acld-4-aathoxy hydrulda
t
»
7
t
7
?
T
T
C > 15 Fatty acid
7
7
CharactuMfc tout In Maa Spactram
67(100)41(76)59(45)95(36)94(32)126(32)111(9)
66(100)55(11)91(11)93(5)121(4)152(3)
79(100)67(45)41(44)95(37)122(31)154(24)
(0(100)79(43)55(15)91(10)135(3)93(3)
109(100)6«(89)67(76)93(49)136(14) 168(4)
70(100)55(50) 123(49)77(13)95(9) 79(7) 1S$(4)
94(100)79(78)65(14)121(12)55(10) 121(12)152 (4) 180(3)
91(100) 151(100)65 (31) 59(25) 155(11)115(2)
91(100)158(27)65(27)59(16)127(16)171(2)
91(100)151(57)65(27)59(24)77(14)
91(100) 127(19) 125(19)65(11) 151(9) 181(3)
95(100)126(78)91(44)77(20)141(10) 186(1)118(0.5)
151 (100) 91(56)65(1)) 155(10) 1(6(5) 188(2)
91 (100)65(18) 118(22) 151 (14) 1(6(18)188(4)
91(100)65(24)77(20)154(40)125(29)127(18)186(28)188(10)
151(100)91(67)65(20)51(14)155(14)186(8)188(3)
145(100)129(91)117(82)115(81)91(84)77(43)
126(100)79(98)175(47)
79(100)97(53)77(35)91(30)126(20)67(13)175(41)
74(100)87(76)
137(100)79((3)77(46)91(44)216(18) 191(15)217 (8)
79(100)137(86)77(61)91(60)43(38)216(18)276(6)
Compound
4-r«ntenolc aeld,2-a«thylane,a*thyl titc
3-<£g£ohaKe2f-£-carbo«yllc acld.4-Mthyl
PMt*d*e*nole aeld,14-aattiyl.Mthyl altar
&l.
202
324
524
-------
TABLE A-91. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 34E
oc
Nek
No.
1
2
1
4
5
Mention
kid*
911
1162
1541
1641
2002
Hfi
**
***
*
*
•
Tmitin
UmlficMion
J
Kl»tur« r
l,3,5-TrU*ln«-l,4-aieBlM,
6-(3-».thyl Fhenyl) -f 1
Cj-AlkyUpilnolliw
PIxnothlulM
OmcttrMe lorn kt M» SpKtrwn
55(100) 121(67)79(M)94(S«)42(41)107(U> 122(6)
l23(100)70(«4}»(i2)77(26)10S(20)lSI(6)
U(100)116(61)60(SO>101(60> 161(21)
170(100>1M(«2)1M(34)144(27>7?<22)S1(11)200(12)
1*9(100)167(52)154 (13)198(20)200(14)
OoimBund
l,J,5-TTlMlDc-J.4-DUrti«, 6-(3- M.thjl
Phmjl)-
10>-Fh«othlulK*
S.I.
«103
300
SM
TABLE A-92. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 35VI
GC
Pwk
No.
1
2
3
4
3
6
Relativi
Retentl<
Tine
.14
.18
.23
.28
.34
1.00
Amount.
1 M9/I
—
1-10
10-100
.1-1
1-10
8
TtllMtiM
Uwitificnkin
Mr
Dlchloronethine
Chlorofom
Benzene
BroBOdlchloroaethane
t.S.
Charicuristic lorn in Man Spectrum
44(100)
84(100)
83(100)85(67)
78(100)
83(100)85(63)129(8)127(6)
75(100)110(30)
-------
TABLE A-93. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 35VE
GC
PMk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
| Relatlv
tetentlo
Tl»e
0.13
0.20
0.26
0.30
0.39
0.57
0.72
0.74
0.80
0.91
0.98
1.00
1.19
1.21
1.22
1.24
1.29
1.32
1.52
1.53
1.63
1.76
1.82
Amount
pg/l
1-10
1-10
10-100
10-100
1-10
1-10
1-10
1-10
<1
VI
1-10
- 8
1-10
VL
1-10
1-10
<1
1-10
<1
1-10
M
1-10
<1
Tmuthm
Identification
Air
Dlchloromethane +
Dlethyl ether
Chloroform
Dichloroethane
1 , 2- D tchloropropane
Toluene
1,1-di-aec-Butoxy ethane
C1QK2202 (T)
Hydrocarbon H126
C2- Alkyl benzene
Cj ALkyl benzene
I S
Butyl ketone C.H, .0
7 IB
Unknown
C9H10 e* ""h*1 "tyrene
CqK,n eg Methyl atyrene
Cj Alkyl benzene
C9H8 eg Indene
"•Ifl rio '* cycloProp(2.3)lndene or
1U 1U dlylnyl benzene
^IQ^lfl e^ d-vlnyl benzene
Jnknown
Inknown
Unknown
Chancurnttic Ions in Mm Sptctrum
44(100)
49(100)
59(100)45(45)74(35)
83(100)85(96)
62(100)64(35)98,100
63(100)62(70)76(60)41(38)65(32)97.99.101.112.114.116
91(100)92(60)
45(100)57(60)59(30)101(30)41(28)83(8)
45(100)57(70)101(32)41(30)59(25)83(8)
55(100)69(70)56(65)41(60)43(28)70(22)126(9)
91(100)106(60)
91(100)106(55)
75(100)77(33)
85(100)57(75)142,41(30)58(18)127(15)
43(100)84(70)69(40)85(35)99(12)
117(100)118(80)115(45)91(25)103(10)
117(100)118(90)115(40)91(22)103(5)
105(100)120(52)
115(100)116(95)117(10)89(10)
130(100)129(85)128(50)115(88)102(8)
130(100)115(95)129(85)128(40)
95(100)137(100)123(80)43(55)109(30)81(27)91(25)41,107,121(14)
125(100)83(70)111(45)55(38)69(30)41(23)126(20)97(10)167(8)
141(100)88(87)105(50)143(35)90(30)53(28)113(15)
-------
TABLE A-94. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 35E
ON
N3
PMC
1
2
3
4
5
«
7
8
9
10
11
12
13
14
15
16
17
ta
19
20
21
22
23
24
25
26
27
28
29
»0
RMMiofi
Ma
845
848
M8
884
890
914
921
931
942
953
963
976
980
987
995
1008
1019
1063
1100
1112
1121
1164
1172
1194
U40
1265
1274
1307
1335
1147
Amount.
(••/I
**
**
M
**
***
**
**
**
It-N.
Toluene
Dlnethylpenonone
Heehylcyc lohexenone
C^.Ketone
DtaetlqrlpentMol
0-Xylcne
Xylene
Dlchloropropeae
C > 9 »lk«ne » 7
C^-Alkylbeniene
Aldehyde C.H..O
*lkyl-»lcotiol
1
7
Decane + 7
C^ -Akjmjlbenzen*
l-Mtthyl-l-Phenyleth»ool
r
Methyl lixlene
Hethyllndene
Nephthelene -f ?
Cliloro-?
C6-Alkylt>eiizene
Dihydrolnden-1-one
Methyl tet rah yd rontphthalene
Hechyltetrahydmnaphclulene
Dlnethylbenzofuran
Hlxturp • 128 ?
."""•'•• '
Ouracuriitle lom hi Mm SUKtrum
92(100)91(95)
57(100)43(95)58*82)114(17)99(10)86(6)71(6)
83(100)55(87)98(37)
57(100)59(99)85(32)101(14)114(12)
73(100)87(48)55(45)45(39)69(26)101(8)
91(100)106(39)77(14)51(13)65(10)63(8)
91(100)106(39)67(15)51(13)53(11)
75(100)77(32)110(30)61(27)49(22)112(18)
43(100)45(31)101(23)87(19)
57(100)105(92)85(81)120(39)142(10)
43(100)84(39)69(32)118(6)117(5)
43(100)57(35)71(49)132(14)
43(100)59(51)101(28)117(10)143(3)
69(100)87(38)45(32)41(32)95(2)111(2)126(2)
57(100)43(53)85(43)86(29)45(18)
115(100)116(93)63(19)89(18)57(15)
121 (100)43 (99) 77 (27)51 (23) 136(4)
99(100)155(58)81(54)127(45)109(33)82(32)
115(100)130(86)129(70)83(44)128(38)117(28)
115(100)130(84)129(70)128(40)119(42)
128(100)55(62)119(42)129(16)127(13)
57(100)41(38)135(15)137(5)
91(100)119(78)134(61)43(53)162(44)83(39)
104(100)132(99)78(62)51(36)
131(100)146(60)117(33)103(19)91(17)63(14)51(13)147(7)
131(100)146(65)103(50)77(45)57(45)
117(100)146(90)56(50)115(42)91(25)63(22)89(17)147(11)
82(100)118(83)90(72)146(46)154(36)
Moit nennnXiH BUnunn Much
Compound
Benzene.«ethyl
2-Pentanon*
3-Hexcn-2-one
2.t-Peot«nedlone
3-Pcnunol
8eniene,l,2^ll>ecliyl
Benzene, 1,2-dlmethyl
8enseiie«ethaiiol
IH-lndene^-aethyl
IM-inden-l-ooe
Naphthalene .1,2, 3 ,4.tetr«hydro-l-ttethyl
S.I
721
323
710
511
-------
TABLE A-94. (Continued)
GC
*•*
No.
31
32
33
34
33
36
37
38
39
40
41
RMMtlOK
Mac
1362
1376
1381
1427
1433
1447
1862
1902
1902
2047
2529
AmouM.
*•/!
**
***
***
**
*w
**
**
**
*4
**
**
Tinatfn
Mntificmoo
Nltture 1
Mixture T
Hlxturt ? Keen*
Dichloro- 7
Dlchloro- 7
Dichloro- 7
J
7
7
7
7
Ctaramriftie loni in Mw S^Ktium
6iaOO)58<97157<-82Ulf»)87fS4llUn7M1;m
43(100X3(94) 125 (M)69(>2)91 (74) 148(64) 181 (36)196(7)
57 (100)97(34)59(32)17 (27)181(12) 140(11)196(4)
7J(100)79(M)i:2(49)lll(26)113(16)189(16)191(l})193(S)
73(100>141(*7)143(3«)111(43>113(2<)77(30)14S<9)
79(100) 162 (82)119(50) 133(46)91 (36)189(32)191 (30)193(10)
57(100) 56(69)iJ(34)UJ(40)209(20)2U(7)
56(100)85(67) 135 (58)209(39)93(34) 137(20)211(15)
7:(100)57(60)111(48)119(46)155(41)267(17)26S12)269(4)
57(100)75(68)101(38)87(26)173(18)247(9)
57(100) 73(37)101(22)87(16)113(14)205(4)
Compound
S.I
K 103
-------
TABLE A-95. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 35E
FMk
No.
2
3
4
3
6
7
1
9
10
11
12
U
14
15
16
17
It
19
20
21
22
2)
24
23
26
27
2*
29
30
Max
82.3.
845
137"
Ml
173
911
927
917
1020
1095
1101
1US
1164
11W
1201
1235
1274
1291
1302
1311
1329
1335 •
1362
1410
1469
1412
1617
1702
1172
1465
IHfl
**
**
*
•«
**
**
**
***
**
**
**
M
**
**
**
•*
**
•«
Utntifkation
M«.thrtl«.t»«lJ «ctJ
J
AeetoxThtunolc ccld
Hcthjlpancwwlc Acid
C > 6 r.tty ic Id
C ^ 6 Fartjr acid
t
l-M.thyl-l-f.h«yl«th.nol
DlMthrlphmol
Allrltblo-propuoU «cU 1C
Itethyltencolc acid
N»thch)rl-b*iisolc acid
Eth*n;l-tenx<>le acid
DlMthylbcnxolc acid
MlituraT
Dlaathjl-banianaTropaaolc acid
t
T
Cj-Ukrl-pbaxyl propamlc acid
J
AUylbaiiaotc acid
AUrlbaoelc acid
t
C > 14 Fatty acid
•roan-I
Phtbalac*
CharacBrirtc lorn In Ma. Spactmrn
43(100)85(72)102(53)69(17)115(3)
73(100)71 (74)43<74)J5(4i)59(31)17(20)113<16)129(4)
11(100)57(33)41(30)73(7)115(6)
13(100)55(77)41(31)142(14)127(4)
74(100)57(90)45 (53)17(10)
45(100)57(17)101(52)U(26)
43(100) 121(63)77(U)51 (13)136 (2)
107 (100) 122 (19)77 (46) 91 (35)51 (16)65 (15) 155 (12)
•7<100)45(»e)59W«>UI>(6«)73(63>
119(100)111(64)91(79)65(35)150(37)
119(100)91(63)150(31)65(26)
57(100)17(21)135(11)19(6)137(5)
55(100)119(12)13(41)101(37)69(34)153(1)167(4)
119(100)91(65)77(16)103(12)171(10)51(6)65(4)
106(100)134(16)77(41)166(38)51(21)110(2)
136(100)103(40)77(3*) 162(32)56(li)163(4>
133(100)105(40)164(21)77(26)
172(100)97(97)113(19)157(12)125(71)79(72)59(61)
119(100)91(51)135(16)77(14)65(5)145(4)192(7)
1(6(100)59(12)111(14)127(10)120(66)139(64)171(67)
59(100)77(56)75(55)171(44)116(55)
119(100)91(10)77(16)79(10)51(7)2(16(2)
57(100)90(40)87(27)146(7)173(3)
115(100)174(30)19(14)63(12)
116(100)57(56)88(30)93(21)174(6)
87(100)85(92)55(90)39(60)184(10)
87(100)102(91)
135(100)75(68)99(66)177(19)247(6)245(5)
149(100)37(46)71 (20) 167(27)173(4)
MOW Pi! ..._LI. BUM_.n Mndl
Compound
Haxanolc acld,5-(a»t]rlox;)-Mtthyl Eatar
Pantanolc acld.i-Mcchrl.Hcchyl E.t«t
Bautana attthanol,a,ii-DlMthyl
Phanol,2 ,4^>la«thyl
Froplaolc •ctd.l-CAUrlthlo^Utbyl aatar
B«nxolc acld,2^fathrl.Hathrl tatar
laniolc acld,2-MIIT-t-'<*thrl-Mcthjl
Batuolc acld,4-Ethanrl-Mathrl aacar
aanolc acld.3,5-Dla«Utrl-Hath7l «acar
11.
332
358
646
548
427
468
451
443
604
672
-------
TABLE A-96. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 35E
oc
Peak
No.
1
2
J
4
5
6
J
»
9
10
lfc»illiie
Me>
•69
917
92*
965
10JO
10(0
1111
1136
1166
1231
Amount.
•t/i
**
~
**
**
*
**
**
**
**
**
kkmMieetian,
2-Propen-l-eediie N.N-Dl-2-rropewl
2.4-n«udl««l
1-hicmol 4-lutox7
T
Dmth^lnllla*
t
J
Alkyl kitOQ*
riiijiiini«cn to conc«cr«t«4
CkmcMrMi bM ki MM ^HCMIII
110(100>41(M)(« 63)96(30)1200)117(19)
9* (100)67 (73)42 (64) 53 (59)«1 (40)
57(100)41 (67)73(21)87 («) 134(3)
121(100)43(«0) 77 (21)139(12)91(12)105(6)
120( 100) 106 (9») 121 (97)
156(100)132(55)104(44)79(43)127(42)141(40)
57(100)41(64)17(31)114(11)117(1)
125(100)43(66)83(62)181(43)69(41)97(34) 139(22) 196(8)
104 ( 100) 103(39) 132 (56) 1)1 (42) 77(43)91 (38) 150(20)
104(100>77(52)132(4g)131(3B)91 (42)150(16)
that tb«y vert aUo extracted Inta bulc frectloa
C.m>u.iH
2-Propm.l.e^M
lH-In)ene-l,2-Dliil
lH-Indene.l,2.01ol
11.
>1lP
315
792
762
TABLE A-97. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 36VE
GC
Pnk
No.
1
2
3
4
5
6
7
Rclatlv
In tent lor
Time
0.10
0.14
0.20
0.24
0.34
0.58
1.00
Amount,
C9/I
'
1-10
10-100
1-10
10-100
1-10
- 8
Tentatiw
IdentilicMkMi
air
DlchloroM thane
Chloroform
1.1. 1-Trichloroe thane
BroDKx) Ichlorooje thane
Dibronochloromethane
I S
Characteristic lorn in Man Spectrum
44(100)
49(100)
83(100)
97(100)99(70)61(45)117. 119.121
83(100)85rtS)47(23)127. 129.131
129(100)127(80)131 rM) 79. 81.206. 208. 210
75(100)110(60)
-------
TABLE A-98. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 37VI-a
GC
Peak
No.
1
2
3
4
5
6
7
8
9
10
Relative
Retentior
Tine
0.12
0.16
0.16
0.17
0.25
0.26
0.29
0.34
0.36
1.00
Amount,
fig/I
—
<1
VI
10-100
<1
<1
<1
<1
-------
TABLE A-100. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 37VE
GC
PMk
No.
1
2
3
4
5
6
7
8
9
Relatlv
tetentlo
Tine
0.13
0.14
0.18
0.18
0.26
0.50
Amount.
cg/l
<1
<1 ea
1-10
<1
<1
<1
<1
Tentative
ktoitification
air
lutene
Olnethyl sulflde + Olchloroethylene
Dlchloronethane
Tetrahydrofuran
Toluene
C,- Rlkyl benzene
C,-Hlkyl benzene
I S
Ctaracteri>tic km in Man Spectrum
44(100}
41(100)56(85)
47(100)62(85)45(70)61(50)46(45)96(8)98(4}
49(100)
42(100)41(42)71,72(40)
91(100)92(60)
91(100)106(38)
91(100)
75(100)
-------
TABLE A-101. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 38VI
00
GC
PMk
No.
1
2
3
4
5
6
7
8
9
10
XI
12
13
14
IS
16
17
18
19
Relative
Retentioi
lime
0.12
0.13
0.13
0.16
0.16
0.16
0.21
0.22
0.24
0.2S
0.26
0.29
0.29
0.36
0.68
0.68
0.71
1.00
1.32
Amount,
«•/!
-
1-10
•vl
1-10
1-10
20-30
1-10
10-20
•vl
1-10
1-10
<1
<1
10-20
1-10
1-10
1-10
-(8)
1-10
Tentative
Identification
Air
Dlaethyl ether (T)
Butene
n-pentane
Dlethyl ether +• dlchloroethylene
Dichloroaethane
Dichloroe thylene
Chloroform + alkane
Tetrahydrofuraa
Dichloroe thane
1 ,1 ,1-Trlchloroethane
Benzene
Carbon tetrachlorlde
Trlchloroethylene
1 ,1 ,2 , 2-Tetrachloroethene
Di-butoxyethane (T)
Dl-butoxyethane (T)
IS
Dichlorobenxene
Characteristic lorn in Maa> Spaettum
44(100)
45(100)46(50)
41(100)39(70)56(30)
43(100)42(65)41(58)39(20)57(9)72(5)
45(100)59(89)74(40)96(30)98(23)
49,51.84,86(100) (Sat'd.)
61(100)96(70)98(42)
41(100)57(88)48(82)83(75)85(48)
42(100)71,72(28)
62(100)64(33)98(8)100(6)
97 (100) 99(67)61 (45)117 ,119(18)
78(100)
117,119(100)47(50)35(40)82(35)
95(100)130(85)132(83)97 (65)
129(100)131(96)166(98)164(80)
45(100)57(70)41(36)101(30)
45(100)57(75)41(38)101(28)
75(100)77(33)
75(100)146,50(89)111(80)148(60)
-------
TABLE A-102. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 38VE
VO
GC
PMfc
No
1
2
3
4
6
7
8
9
11
12
13
14
15
16
17
lelaclv
letentl
Time
0.15
0.17
0.18
0.26
0.29
0.31
0.33
0.41
0.51
0.57
0.70
0.92
0.98
1.00
1.24
1.30
Amount.
K«fl
•viOO
1-10
10-100
10-100
1-10
•v.10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
1-10
Tentttive
Air
Acetone
Dlchloroethylene + Ethyl aercoptan
Diehlorome thane
Chloroform
1 , 2-Dlehloroe thane
1*1 ,1-Trlchloroethane
Benzene
Tcichloroethylene
Toluene
2~ Alky 1 benzene
2~ Alkyl benzene
3- Alky 1 benzene
Ichlorobenzene
Clwractarntic km in M*K SIpKtrum
44(100)
43(100)58(30)
62(100)47(88)61(82)45(55)46(38)96(30)98(20)100(3)
49(100)
83(100)
62(100)64(33)49(20)98(10)100,102
97(100)99(60)61(50)117,119,121 SB
78(100)
95(100)132(98)130(96)97(65)60(43)134(30)
43(100)58(42)57,85(25)100(20)
91(100)92(60)
66(100)164(80)129,131(73)166(50)94(50)
1(100)106(60)
1(100)106(63)
5(100)
1(100)106(60)
46(100)148(60)111(20)150(10)
-------
TABLE A-103. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 39VE
GC
Peak
No.
1
2
3
it
5
6
7
8
9
10
11
12
13
14
15
16
17
18
lelatlve
detention
Tine
0.10
0.10
0.12
0.15
0.19
0.23
0.24
0.27
0.35
0.55
0.70
0.93
0.98
1.06
1.30
1.31
1.39
1.46
Amount.
CD/I
—
»100
10-100
10-100
1-10
<1
<1
<1
<1
-------
TABLE A-104. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 40VI
GC
Pnk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
Relativ
Retentlot
Time
0.14
0.17
0.18
0.19
0.20
0.21
0.21
0.23
0.23
0.25
0.28
0.29
0.31
0.32
0.38
0.40
0.70
0.80
0.97
1.00
Amount,
PO/I
1-16
1-10 "
1-16
1-10 "
1-10
<1
<1
<1
<1
1-10
1-10
1-10
<1
<1
•cl
10-100
<1
<1
<1
<1
—
Tmutivt
Identification
Air
Acetone + £5^10 C8
2-Methyl-2-butene
2-chloropropene +
2-butanol (T)
Dichlorovethane
Isobutyraldehyde (T)
Unknown
2-Methylpropenal (T)
Butyr aldehyde
Methyl ethyl ketone
Chloroform
1 , 2-Dichloroethane
1 , 1 , 1-1 richloroe thane
3-Methyl-2-butanone
Benzene -f Unknown
1 1 2-Olchloropropane
Trlchloethylene
1 , 1 , 2 , 2-Tet rachloroe thene
Chlorobenzene
C- Alkyl benzene
I.S.
Ctwractarittic loro in Man Spectrum
44(100)
43(100)55(50)5.02)70(20)
45(100)41(68)59(50)76(10)
49(100)
43(100)41(72)72(55)
43(100)44(45)45(33)67(6)68(3)
41(100)70(70)42(28)
43,44(100)41(61)57(22)72(38)
43(100)72(18)57(10)
83(100)85(67)
62(100)64(31)49(25)98(8)100(6)
97(100)99(65)61(62)117,119(10)
43(100)41(15)86(12)
78(100)41(60)57(60)58(50)
63(100)62(70)41(40)76(40) SB 97,99,112,114
95(100)130,132(90)97(60)60(50)134(30)
166(100)164,129,131(90)94(60)168(58)
112(100)77(75)114(35)50,51(30)
91(100)106(40)
75(100)
-------
TABLE A-105. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 40VE
Ni
QC
PMk
Ma
1
2
3
4
5
6
7
8
9
Relative
letentlot
Tine
—
—
—
—
—
—
—
—
—
Amount.
cg/l
>100
10-100
10-100
10-100
>100
10-100
>100
Tmtatn*
Identification
Air
Dichlorone thane
Chloroform
C2 Alkyl benzene
C2 Alkyl benzene
C2 Alkyl benzene
Unknown (Saturated Spectrum)
C2 Alkyl benzene
Unknown (Saturated Spectrum)
OwracMrinic lorn in Mm Spectrum
49(100)
-------
TABLE A-106. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 401
FMk
No.
1
2
3
4
I
6
7
e
9
10
11
12
11
14
IS
16
17
U
19
20
21
Mn
844
859
170
876
Ml
907
951
997
966
9U
1005
too*
1017
1037
105}
1061
1067
1103
1119
1UI
1137
Anrnim.
•V
**
**
M
**
**
**
**
•*
••
«*
**
**
*«
•*
**
IHt
•«
*«
C > 9 AlkUM
Tolueti.
tthTlbtm.il.
o-XylMU
r-xrio*
•on...
C,-43(90)41(49>71(40)95(26)99(7>142(4)
105(100)120(16)77(17)57(13)79(12)91(13)
117(100)111(55)115(15)91(20)63(14)119(6)
105 (100)77 (34)57(25)41(1()43(17>134(9)
119(100)114(23)91(13)77(12)51(5)
119(100)117 (3» 91 (31)57(31)43(30)71(16) 114(26)
119(100)43(70)57(35)91(32)117(30)114(26)
57(100)43(88)71(46)85(24)136(2)
117(100)131(14)132(33)91(29)77(11)51(9)64(7) 14«(«)
117(100)115(29)132(29)91(24)51(12)77(13)148(2)
128(100)43(26)57(21)71(18)127(17)129(10)
Compound
Bm*«iw , 1 . l-4l*ttkyl
>«iii«n.,l-.tli7l.3-«ethyl
B.uei«.(l-«tli;l .thjl)
taean.
Bmenc , 1 -.chyD^echyl
**
-------
TABLE A-107. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 40E
ft*
No.
1
2
3
4
3
«
7
a
9
10
11
V
13
14
DMMIion
hidM
873
Ml
999
1034
1068
1111
1551
1902
1979
2011
2297
1497
Z70J
Amount.
»t/l
**
**
**
UMitifkmioo
O-XyleiM
P-Xyl.o.
Chlorocjrc lohex*no 1
D Ich lorocyclohexanc
Br«Mocycloh«x«m>l
Broaochlorocjrc lohexane
Dlctbyl phthaUte
NoMdeune
*•*"*••
ElCOSUM
BtitrlbewTl ohthal.te
^tf^OMDt
HcptccMWie
ChMcttrWc km In MM S0wtmm
91(100)106(28)51(13)65(12)77(10)
91(100)106(43)77(13)51(10)65(8)63(6)
91(100)106(78)
57(100)80(24)88(10)98(8)134(3)135(0.6)
81(100)80(58)79(21)152(1)154(0.5)
81(100)57(66)99(26)132(3)134(3)180(1)178(1)
81(100)79(17)53(13)117(6)119(2)
149(100)150(12)105(8)65(6)177(17)222(0.6}
57(100)43(76)71(71)85(48)99(15)113(9)127(5)
134(100)107(37)57(36)79(34)167(19)166(18)234(7)
t4?(lPO)?l(7l)6?(l8>iy)aU206(l»238(2)
Mod RMMMbto BMtwnn Hhtch
Cofnpound
Benzene, ethyl
Bentene , 1 , 2 -dlae thy I
Cyclohexanol ,4-chloro t tranc
C]rclohex>ne . 1,2 -dlchloro
C]rclob«unolt2-bro«o
C7Clohexen*tl^>roao-2-chlorotcli
1,2 -benzene dlcarbolyllc >cld dlechjpl e«t
Blcoeene
dl^thyl-3-oxohe«yl)-«ethyl eater
s.i.-
760
729
488
561
627
536
645
r 650
722
640
-------
TABLE A-108. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 40E
1
3
4
5
6
7
B
»
10
11
12
13
14
15
OMKIliOK
Mn
1707
1*10
1979
2001
2011
2073
2110
21M>
2302
2314
247J
2317
2677
2715
Amount.
«f/l
*
**
*
TmnHM
C > 8 Fatty acid
Tetradecanolc acid
Haxadecanolc acid
C > 16 Fatty uld
C > 17 Fatty acid
C > 18 Fatty icld
C > 18 Fatty add
Oet>dK«iolc uld
C > 11 Fatty «eld
C > 20 F«ty uld « rhthalat.
C i 20 Fatty acid
C > 21 Fatty acid
C > 22 Fatty acid
C > 23 Fatty acid
C > 24 Fatty acid
OmcMnfc kxa in Man SpacVum
74(100)87(66)183(4)181(3)214(1)
74 (100) 87 (68)43 (34)55 (26) 143(12)127 (4)213 (2)
74(64)87(48)227(2)270(1)
74(100)87(73)143(20)185(7)241(3)284(2)
74(100)87(74)143(16)241(3)
74(100)87(75)143(20)
74(100)87(80)
41(100) 74(99)87 (75)143(17)199(5)235(3)298(1)
74(100)87(18)43(38)143(22)299(2)
149(100)91(73)237(43)197(37)195(30)312(12)
237(100)74(80)87(64)129(28)143(27)182(16)297(8)312(8)
74(100)87(33)
74(100)87(77)143(21)255(1.5)354(1.5)
74(100)87(81)143(17)
74(100)87(87)143(21)
Undecanolc acld,10-«ethyl.Mthyl aater
Ttttradacaoolc acid. Methyl eater
Heptadacaoole aeld,16-a«thyl,Mtttyl eaeer
Hertadecanolc acld,15-a»thyl,a»tbyl eater
ti.-
518
672
498
395
443
-------
TABLE A-109. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 41VE
GC
FMk
No.
1
2
3
4
5
6
7
8
9
lelatlve
lecencior
Tine
0.11
0.13
0.17
0.18
0.24
0.28
0.91
0.98
1.00
Amount,
Ma/1
—
>100
>100
>100
1-10
1-10
1-10
1-10
—
Tantitm
Wtntifreation
Air
Dimethyl ether (I)
Acetone
Dlchloroaethane
Chloroforn
1,1, 1-Trichloroe thane
Cj-Alkyl benzene
C2-Alkyl benzene
I.S.
Charactwittic lont in ntan Sptctnim
44(100)
43-45(100) (Sat'd spectrum)
43(100)58(30)
49(100)
83(100)
97(100)99(67)61(40)119(12)117(10)121(4)
91(100)106(60)
91(100)106(60)
75(100)77(33)
-------
TABLE A-110. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 42VE
GC
Pnk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
telatlve
lecentio
TlBC
0.14
0.18
0.19
0.24
0.26
0.28
0.28
0.29
0.30
0.38
0.40
0.57
0.61
0.90
1.00
Amount.
PI/I
—
1-10
1-10
1-10
1-10
<1
<1
<1
1-10
1-10
10-100
<1
10-100
1-10
—
Tentative
KWfltlnCfltlOfl
Air
1,1-Dlchloroethylene
Dlchlorone thane
Hechylechyl ketone
Chlorofora
2-Chlor»-2-biitene
Tetrahydrofuran
1 ,2-Dlchloroethane
1,1,1-Trichloroe thane
L ! 2-Dlchloropropane
BroBodlchloroae thane
toluene
DlbroBochlorone thane
ironofora
.S.
Characttrittk lorn in Mas SpKtnim
44(100}
61(100)96(65)98(40)63(33)
84(100)49(95)
43(100)72(20)57(6)
83(100)
55(100)90(35)54(33)53(25)41(18)50(13)92(11)
42(100)41(55)71.72(40)
62(100)64(33)49(29)98(10)10(5)
97(100)99(70)61(52)117,119(8)
63(100)62(75)41(55)76(45)65(30)
83(100)85(65)129(10)127(8)131(2)
91(100)92(56)
129(100)127(82)79,81,131(25)
173(100)171(60)175(48)79,81(35)252,254(5)
75(100)
-------
TABLE A-lll. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 43VI
GC
Peak
No.
1
2
3
4
5
6
Relatlv*
Retention
Time
0.13
0.18
0.52
0.81
0.98
1.00
Amount,
CO/I
10-100
<1
Tentative
Identification
air
Dlctilorome thane
methyl Isobutyl Ketone
Chlorobenzene
C0 alkyl benzene
1 S
Characteristic lorn in Mats Spectrum
44(100) __
49(100)
43(100)58(30)85(16)100(9) (also seen In previous run)
112(100)77(72)50,51,114(32)
91(100)106(40)
75(100)
TABLE A-112. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 43VE
oo
GC
Pee*
No.
1
2
3
4
5
6
7
8
9
10
elitlve
etention
Tl«e
0.13
0.18
0.28
0.31
0.49
.0.55
0.59
0.91
0.97
1.00
Amount,
Kt/l
-
1-10
1-10
1-10
1-10
-------
TABLE A-113. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 431
GC
Piak
No.
1
2
3
4
5
6
r
8
miKition
M*x
844
13$
915
1010
1056
1630
2110
2321
Amount.
nn
**
*
**
**
-
**
*
*
Tantatn.
Dlchloro C(,-»lk«n«
OilorohexMM
Chloroaethylbutaoa
7
Chloro«th«aylb«u«ne
Bcm.ne.ulfona.lda N,4-DlMlhyl
C > 18 Fatty *cld
c > 20 r.ttj uu
O»nn«iiil«. km to MM Sptanna
41(100)55 (83)90(63)77(43)92(17)114(4) 126(3)
91(100) 55(60) 93(53)41(63)
55(100)6»<6B)6«(S6)41(30)91(31)93(S)104{4)10*(2)
69(100)41(52)82(24)67(20)90(8)105(4)118(2)
89(100)125(95)53 (70)63(41)91(33)127 (60) 138(4)140(2)
91(100)*5(29)U1(23)150(26)»2 (20) 185 (27)186(3)
74(100)87(80)143(23)298(3)
87 (100) 55 ( 100) 97 (64) 197 (83)200 (23) 229(8)
Compound
Hcxane, 1-Chloro-
l-Buc«ne. 2-(ChloroMthrD-
B*ueii<>ulfoiUBld«, N-4-DU»thyl
HepUdecanoU Acid, 16JUthrl-. Htthjl
Eater
«t.d«c«nolc Actd, 12-Hjrdroiy-, H 12 Fattr >cld
C > 17 Fattr acid
ChVKttrMfc lorn In MM Spactron.
94 (100)66 (48)65 (26) 95 (4)
108(100)107(94)79(46)77i44J
41(100)107(80)77«5)79(IO) 109(5)
107(100)122(76)121(40)77(36)79(22)91(27)
107(100)122(82)77(33)79(21)91(22)
74(100)87(67)143(13)171(9)
74(100)87(74)143(20)199(12)
74(57)87(35)264(6)
74(100)87(70) 143(15) 199(6)255(4)
Compound
Phanol,3.4-M«thTl
Ph«nol.2,5-OlKthrl
Mcanolc acld.B-IMthrl, Math;! aatar
Itod.canolc acld.U-Bri»o, Mathyl ««t.r
10.Und«c«oolc acid, MChyl
-------
TABLE A-115. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 44VE
oo
o
GC
Pnk
No.
1
2
3
A
5
6
7
tel.tlve
• tendon
ll*f
0.14
0.18
0.19
0.32
0.57
1.00
nn
-
10-100
10-100
1-10
1-10
-8
TMttiM
Air
Acetone
Dlchloroaethane
Benzene
Toluene
I.S.
Chencttrimc lorn in M«a SpKtnmi
44(100)
43(100)58(30)
84(100)49(73)86(62)
43(100)72(20)
78(100)
91(100)92(55)
75(100)77(33)
-------
TABLE A-116. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 44E
CO
oc
tak
No.
1
2
V
5
6
7
t
9
10
11
12
13
U
15
It
17
18 .
19
«
HMMIttol
M>»
970
103«
1062
1123
1131
115*
1112
1212
1222
12*3
1233
12«I
1321
1330
1343
1370
13B9
1424
1013
Amount.
H/l
***
***
***
**
***
***
**
**
**
ft*
**
*
ft*
**
*
**
*
**
**
Tmntlw
MMtHtaHai
rbnol
Mthrlphool
C,-*lkrlphcnol
0,-AUTlfh.Dol
C3^llkylph.nol
C,-Alk]Flphl
C,^LUylph«»l
C,^Llkjtlphmol
CjWUkylphaot
Cj^U kylph.no!
C4-ilkyl(*«iiol
C4wllk]rl|>h«>al
C4-*lk;lph«iol
ItothyUllrlphoiol
C4-*lk«oylptimol t T
C4-Alkrlph«ix,l
C4-Alkrlph«ial * T
Bnuolc Acid
CtaracMNk lorn in MM SpMram
tt<100)»6(4«)»5<25)95<7)93<4)
108(100) 107(92)7«(3«)77{37)51(15)S3<9)90(»)B951(9)«3(8)t5(7)123(4)
107 (100)122 (81)121(47) 77(28)91(25)79(19)51(9) 123(6)
107(100)122(40)77(22)91(9)79(7)63(6)31(7)123(7)131(2)
107(100)122(92)121(71)77(42)91(29)136(5)
121(100) 136(41)91(31)77(26)167(15)65(S)51(I)
121(100)136(27)91(17)77(15)65(5)31(4)103(4)107(4)
121(100)136(61)107(61)77(27)91(24)65(7)53(5)
121(100) 136(o7)91(3i>77(24)107(14)?9(lO)63(»53(i)
121(100)136(33)91(23)77(20)107(15)65(8)51(7)
133(100)134(90)135(39)105(40)91(43)77(41)51(21)63(17)
133(100)134(53)135(27)105(33)77(27)91(20)150(20)51(20)
133(100)107(90)14«*40)77(35)63(16)51(16) 162(5)
133 (100) 14S(34) 105 (26) 77(13)91 (9) 51 (7)63 (7)
133(100)141(57)105(22)91(22)77(17)63(13)149(12)
133 (100)147 (61)14o(55)91(19)105(li)77(14)5l(10)162 (7)166(1)
103(100) 77 (60) 136(40)51 (2»)
Compound
n»nol.2-M«thrl
rtonol , 3 -Ethyl-5 -«. th jl
Fhtnol ,2 - (2-wthyl -2 -proptnyl )
S.I.
i 10>
370
473
493
-------
TABLE A-117. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 45VI
oo
S3
GC
PMk
No.
J
2
3
4
5
6
7
8
9
10
eiai ive 1
Retencioi
Time
0.12
0.16
0.16
0.32
0.26
0.28
0.35
0.67
1.00
Amount.
pg/i
-------
TABLE A-118. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 45VE
00
CO
No
1
2
3
4
5
6
6
7
8
9
10
11
12
13
It
15
16
17
18
19
20
1 21
1 22
23
25
26
28
•",
Kelet
detent
time
a. 11
0.12
0.17
0.22
0.32
0.36
0.36
0.49
0.51
0.36
0.60
0.67
0.69
0.69
0.71
0.72
0.75
0.62
0.86
0.93
0.94
0.95
0.96
.98
.99
•.0]
.02
.04
06
O'l
Amount
«|A
10-100
10-100
>100
10-100
>100
>100
10-100
10-100
>100
>100
1-10
1-10
1-10
1-10
1-10
1-10
>100
'100
10-100
10-100
10-100
0-100
0-10O
0-100
0-100
0-100
0-100
1-100
I-IIW
Tentative
kfcmifkMian
Mr
Butene
ChloroBethyl propene
ChlartMethyl propeae
Benzene
DlbrowMethene
DibrowNMttune
Unknonn
l.J-dlcKloro-2-
ctVl? e» "thjrl propm«
Toluene
Unknovti
Unknown
Unknown
Unknowi
C8HU- '» 2,'t-hnudlenc
C_H.^ + Unknown
C8U14 * THK(.>;')
-------
TABLE A-118. (Continued)
oo
GC
Paak
No.
30
31
32
33
34
35
36
37
38
39
40
41
42
43
Rclatlvi
Retentioi
Tine
1.10
1.17
1.32
1.35
1.52
1.54
1.56
1.58
1.61
1.65
1.66
1.67
1.73
1.95
Amount.
Mfl/l
10-100
>100
10-100
10-100
10-100
10-100
10-100
10-100
>100
10-100
10-100
10-100
10-100
10-100
Tentative
Identification
Diethyl dlsulflde
Unknown
Unknown
Unknown
C alkyl benzene
1 Hlndene CiiH,2 H146
2 , 3-dlhydre-1 . 3-
131(100)91(42)146(40)105(30)77(22)
131(100)91(53)146(50)105(30)
121(100)93(95)97(90)65(90)115(60)109(50)198(30)
131(100)91(62)146(50)115(38)
55(100)91(50)90(25)93(23)143(18)158(8)
131(100)146(70)91(42)115(30)
145(100)91(88)160(40)55(55)
145(100)105(40)125(30)124(30) (no 160)
-------
TABLE A-119. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 45E
oo
Ui
H*
No
1
2
3
4
5
«
7
8
9
10
11
12
13
14
13
It
17
16
19-
20
21
22
2)
24
2}
2<
27
21
29
30
MB
»73
177
113
891
905
933
9V)
1003
1037
10*9
1095
1115
1143
1176
1194
1201
1231
| 123}
1264
1273
1325
1373
1393
14S2
1473
1505
1529
1J«2
1603
Amount.
»iu, dlxtbrl
7
Bmiole •cld,2-prop*njrl ut«
3(2R>-B«in>furuoM iimmthjl
1
p-M>thnc7proplopl>«>ai>4
Phocphorodlthlele aeldfO^-dlvtlirl S^th-
«,4»,.»
t
Hiztun »
HOKlos of HI
C^-tUtnrlptunot
7
Alkrl-tetr«h,dron«phth.len.-l,Uloxl43(50)94(4() 124(6)
111(100)75(81)113(66)77(25)19(23)124(9)126(6)
43(100)99(76)55(58)70(35)100(4)
41(100)43 (40)I5(30)57(16)I7(S)»9(0. 6)97 (0.4)
105(100)77(11)51(36)120(24)
79(100) 107 (74)77 (57) 122 (22) 51 (24)
133(100)105(70)148(57)77(19)91(20)51(19)63(12)
61(100)154(70)94(33)122(16)156(8)
97(99)121(92)65(94)93(93)11(47)170(17)191(100)199(1)
45(100)57(10) 75(17)«7(10)«9(1)112(1)
94(100)162(56)76 (31)104(36)43(33) 121(21) 147(22)
75(100)111(65)99(41)157(42)50(31)127(22)159(14)
105(100)77(42)51(20)117(3)162(2)
162(100)104(71)77(69)51(52)131(54)71(44)135(38)163(13)
111(100)97(91)11(92)65(72)131(67)170(33)200(32)191(11)202(2)
135(100)77(27)164(22)51(16)105(10)79(9)
186(100)97(76)121(61)63(56)93(57)125(25)214(24)
202(100)187(50)145(67)159(60)91(48)203(16)
86(100)81(98) 111(12)S5(77)135(74) 163(47)191 (52)224(37)
176(100) 131(98)77(91)5U82)14»(8*)193(72)I15(65)91(66)
97(100)121(93)63(76)93(71)125(64)153(49)129(44)240(50)
107(100)135(96)
55(100)123(98)106(35)63(29)124(8)193(1)
146(100)176(99)131(92)193(88)77(66)51(58)91(46)218(3)
196(100)76(56)77(52)104(37)120(28)147(21)169(17)211(14)
97(100)63(74)93(52)174(42)202(46)238(24)322(16)
CoKWound
Ethuofx.l-phenrl
Bmi«n< >«thux>l.«-Mthrl
B«nitn«,l-.thyl-3-(l-«.th7l .thjl)
Eth«el,l-(2-lMitinr »tSo«r)
Inuoic acld,2-prop«oyl Mt«r
3(2H)-t«o«n<.l.(5.5-4lMth7l.l-cr«>tn.
,2-ttciil«othl.«ol«,3-«thoxyl.l.-
-------
TABLE A-119. (Continued)
GC
PHk
No.
31
32
33
34
35
36
RMMition
Indn
1715
1788
2121
2240
2379
2611
Amount.
K*fl
***
...
**
**
***
**
Twiutivi
kkMifioition
Dl-2-propenyl phthalate
Subtt . -bentof uranon*
?
Sulfor-contalning?
?
FhtluUte
O»»ct«iiitic km in Hutu SpMtrura
149(100)41 (52) 104(46)76 (44)132(37) 189(49) 190(6)
189(100) 190(13)76(18) 115(16)41 (18) 149(13)
199(100)103(80)76(39)135(38)61(24)162(23)
97(100)65(62)93(62)121(62)125(48)180(49)332(21)243(17)299(8)
176(100)177(31)57(21)149(22)119(14)91(10)193(6)
149(100)
Compound
'•Jrfpsfraai1^11' «"."i-2-
S.I.
.103
491
oo
TABLE A-120. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 45E
GC
Nrii
No.
1
2
3
4
5
6
7
RMOntion
kidox
876
882
911
976
1056
1178
1344
Amount.
Ml/I
**
**
**
**
*
**
**
TWItBtfM
MmifteMion
Trl^thylpiperldln.
muun T
C4-*lkylplp.rldln. tK 141
MthylpTTldlo* > 7
Mtthjl.nllln«
Hcchcnruilllix IW 12)
mtMtthyluanobanHiM W 163
QMraclprMic lonl in MMI S^octiuni
112(100)86(98)55(37)127(26)
41(100)85(71)43(52)57(18)
71(100)126(94)41(59)100(23)141(11)
93(100)65(38)65(18)92(12)140(8)155(1)
106(100)107(76)122(1)77(20)91(5)
80(100)108(79)123(56)53(22)65(13)
148(100)163(98)121(52)131(26)103(24)93(22)77(20)
Compound
PlperldlM, 1.2,6-TrlMthyl-
2-Huanonc, 3,4-Epoxy.
S.I
.103
434
501
-------
TABLE A-121. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 46VI
GC
PMk
No.
1
2
3
4
5
6
7
8
9
10
telative
tetentlon
Tine
0.12
0.16
0.22
0.25
0.26
0.34
0.36
0.54
0.68
1.00
Amount,
MO/I
—
>100
1-10
1-10
1-10
10-100
M.
1-10
<1
-(8)
Tentative
Identification
Air
Dlchlo rone thane
Chlorofon
Dichloroethaoe
1,1. 1-Tr Ichloroethane
Dlehloropropane
Tr ichloroethylene
Toluene
Tetrachloroethene
IS
Characteristic lonl in Mm Spectrum
44(100)
49(100)84(100) Sat'd.
83(100)85(65)
62(100)64(33)98(15)
97 (100) 61 (70) 99(67)117 (15)
63(100)62(70)41(50)39(35)65(30)76(23)
95(100)130(80)132(79)97(63)60(45)
91(100)92(60)
131(100)166(95)129(80)164(73)94(61)47(48)
75(100)77(33)
TABLE A-122. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. A6VE
GC
PMk
No.
1
2
3
Relative
Retentioi
Tine
.13
.18
.29
Amount.
W/1
—
1-10
1-10
Tentative
Identification
Atr
Dlchloronethane
1 , 1 , 1-Trlchloroe thane
Characteristic lorn in Mats Spectrum
44(100)
84(100)86(70)49(50)
97(100)99(70)61(25)117(18)
-------
TABLE A-123. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 47VI
GC
Peak
No.
1
2.
3
4
5
6
Relative
Retention
Tine
0.11
0.17
0.18
0.23
0.24
0.30
Amount,
MB/1
1-100
10-100
<1
1-10
<1
Tentative
Identification
air
acetone
Dlchloronethane
*
Dlchloroethylene
isopropyl ether
benzene *
•Probably In blank
Characteristic lorn in Man Spectrum
44(100)
43(100)
49 (100)
61(100)96(72)98(50)63(30)
45(100)43(50)41(15)87(12)
78(100)
00
oo
TABLE A-124. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 47VE
GC
Peak
No.
1
7
8
9
Relative
Retentioi
Tine
.14
19
25
.27
.34
.65
1.00
Amount.
eg/I
1-10
10-100
1-10
1-10
.1-1
.1-1
.1-1
(8)-
Tentativa
Identification
Air
Dlethvlether
Dlchlorooethane
1,1-Dlchloroethylene
Isopropyl ether
Tetrahydrofuran
Benzene
Dlchloropropane
I.S.
Characteristic Ions in Mass Spectrum
44flOO)
45000) 59(96> 74 f50>
49(1001ML5QJ _
61(100)96(45)
45(100)45(43)87(20)
42(100)72(30)71(28) . __
78(100)
76(100)41(47)78(40)
75(100)77(30)110(28)
-------
TABLE A-125. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 48VI
CO
VO
GC
PMk
No.
1
2
3
4
5
6
7
8
9
10
11
Relit Iv
Retentlo
Tine
0.11
0.21
0.21
0.26
0.27
0.31
0.41
0.52
0.58
0.71
1.00
Amount.
nl\
10-100
1-10
<1
<1
•v-1
M.
<1
<1
<1
Tantatiw
Identification
Air
Dlchloroaethane
Cycle-pentad lene
Dlchloroethylene
Chloroform
1,1, 1-tr ichloroethane
trlchloroethylene
•ethyllsobutyl Ketone
toluene
1,1,2, 2-tet rachloroetKene
I S
Charactarntk Ions hi Man Spectrum
44(100)
49(100)
66(100)65(65)
61(100)96(52)63.98(33)
83(100)47(80)85(60)
97(100)99(63)61 (50)63(18)117. llf (8)121(4)
130(100)132(97)94(94)96(62)
43(100)58(30)85(15)100(10)
91(100)
166(100)129(90)
75(100)
TABLE A-126. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 48VE
GC
PMk
No.
1
2
3
4
Relatlv
Retentlo
Tim*
0.13
0.18
0.31
1.00
Amount,
PI/I
10-100
1-10
TMIUIIVC
Identification
air
Dlchlorc«ethane
1,1,1-trichloroethane
I S
Ctuf^ctflf litic Ions in MMS Sptctrum
44(100)
84(100)
97(100)99(70)61(25)119(10)117(8)121(4)
7S(100)
-------
TABLE A-127. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 49VI
GC
PN*
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
Relatlv
tetentioi
Time
0.13
0.16
0.17
0.17
0.17
0.18
0.22
0.24
0.28
0.28
0.30
0.31
0.34
0.38
0.59
0.75
0.84
0.90
0.93
0.97
0.98
1.00
l.OS
1.17
Amount,
MS/I
>100
10-100
10-100
10-100-
10-100
10-100
10-100
<1
1-10
10-100
1-10
10-100
10-100
1-10
1-10
1-10
10-100
1-10
1-10
—
1-10
1-10
Tentative
Identification
Air
Acetone
C H , eg 2-*fe-2-butene
Olethyl ether (T) Sat'd
Dlchloromethane
Carbon disulflde
Dichloroethylene
Chloroform
1 . 1 ,1-Trlchloroethane
2-Methyl-2-bu tanol
Benzene
Carbon tetrachloride
Cyclohexene
Trichloroethylene
Toluene
1,1,2, 2-Tetrachloroethene
Ctilorobenzene
C- Alkyl benzene
. C* Alkyl benzene
Cjrclooctatetraene
C2- Alkyl benzene
I.S.
Bromobenzene
Butyl Ketone
Characteristic Ions in Man Spectrum
44(100)
43(100)58(40)
55(100)70(28)41.42(20)
45,59,74(100)
49(100)
76(100)
61(100)96(60)98(40)63(35)
83(100)
97(100)99(67)61(55)117,119(12)
59(100)73(57)43(46)55(45)
78(100)
119(100)117(80)47(50)82(48)
67(100)54(70)82(40)41(25)
95(100)130(82)132(79)60(62)
91(100)92(60)
166(100)129,131(90)164(82)166(50)89(42)
112(100)77(58)114(33)
91(100)106(30)
91(100)106(50)
104(100)78(62)103(60)
91(100)106(40)
75(100)
156(100)158(98)77(75)
85(100)57(88)41(35)142(20)127(10)
-------
TABLE A-128. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 49VE
GC
PUk
No.
1
2
3
4
5
6
7
Relative
Retention
Tl»e
0.10
0.13
0.15
0.20
0.22
1.00
1.15
Amount.
MJ/I
>»100
10-100
10-100
>100
1-10
Tentative
Identification
air
Dlethyl ether
DlchlorOBethane
Chloroform
Tetrahydrofuran
I S
c,r,H1(;
Characteristic Ions in MM Spectrum
44(100)
59(100)45(78)74(70)
49(100)
83(100)
42 (100)41 (55) 71 (50) 72 (50)
75(100)
93(100)91(58)92(45)77(30)79(25)105(20)121(15)
VO
TABLE A-129. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 491
GC
M*
No.
1
2
3
4
5
6
7
8
9
10
11
12
AvMntfoii
MW
862
868
873
1061
1130
1165
1209
1529
15*7
1677
170S
2S11
Amount,
»i/i
**
**
**
**
*Y*
**
**
•*
**#
*
**
«
ToiOtn*
UtHttficHtion
OiyblcyclofA. 1 .Olb«pt.i>«
Echrlbenunc
C,-AlkTlb«n<«M + Alkfl «l£ohol
Ith>M , 1 . 1 ' -oiybl.l 2 -«tho«j]
Dtbroaocrcloheiuute t ?
Brottocyc lohttuno 1
Dibroaocyelolwxttile
1.1* -Blerclobnr l-«IiTl
Subit . -cjrclohuum
1 lttm*r at f>
H-*-fttiain»Marl*etttmUm
IU(2-«ChTlh««rl)ptltlul*t<
Ckencurinic lorn In MM SpKtnmi
83(100)41(62)55(40)54(40)69(30)57(13)
91(100)106(41)77(15)51(12)65(9)
56(100)55(56)43(56)69(29)91(8)106(3)105(1)
«5(100)59(4*>72(*3)73(»0)103(4)
81(100)79(85) 53(60)41(43)77<2!)97(23)132(1)
11(100)99(30)37(24)55(22)79(19)127(5)128(2)
61 (100) 79(20)53 (1*)41 (12) 117(10) 127 (4) 119(3)
83(10O)55(64)lll(32)41(2»)67(10)l*i(e)
95(100)55(80)113(62)41(58)67(46)112(29)83(26)114(5)178(1)
95(100)55(56)67(35)41(34)96(33)97(30)17X16)
10«(100)109(92)179(40)137 (36)80(25)81 (20)43(35)
149(100)167(29)57 (34)70(22)71(22)
Compound
7-OMl>lcyclo(4.1.0|lMpUn>
BCMMC, ethyl
1-PMtanol
Eth«l>«,l,l'-o«rbl«I2-«thoir)
C7Clohcxanol.2-broMO
1.1* -Blcrcloh«xyl-2-«chyl-trao«
At«t«ld.,»-(4-.tho»n*«iyl)
S.I
«103
584
779
63!
577
418
306
814
-------
TABLE A-130. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 491
GC
•aak
No.
I
2
3
4
S
6
m-.fl..
MK
1437
1509
U»
1709
1757
1884
Hmtm.
n/l
**
*
~
*
*
*
TanMw
UMtHlOMMMI
Incencaulfoalc aeld.4-atthyl hydralde
C > 12 Fatty acid
laoaxr of »1
C > 14 Fatty «cld
Methyl beaaeneailltooaBlde
C > 15 Fatty acid
Clurltlalllk la« to k^ tpmaram
91 (100) 155 (59)65(48) 186(59) 187(4)
7«(100)S7(66)
91(100)65(39) 121(32) 155(25)185(27)186(2)
74(100)87(75)
91(100)171(52)155(50)107(48)65(51)
Oompoynd
B«aiilf>BMU«,*-Mcth7l
10-Undec«nolc acid. Mthyl eittr
S.I.
»103
578
616
TABLE A-131. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 49E
VO
ro
GC
PMk
No.
1
2
3
4
5
6
7
1
9
10
11
12
1)
1*
15
16
17
IS
19
Rrantion
Mix
883
932
960
999
1009
1015
1061
1079
1099
1110
1111
1229
1M«
136*
1*33
1S21
1533
1611
2093
Amwnt.
VtA
«Hr
*
*
*
**
**
**
**
*
*.
*•*
***
*
**
*
*
*
**
**
Twtttin
ktantHintMin
Ch lorob«ns*nc
mthylcrcloheunoiM
CMorocvcloh*K«ne
De can*
Ch lorocyc loh*unol
Subat . -kccona
t
Cj-AlkaaylcrclopwuiM
Vattcm*
Alkyl-cyclohaxati*
lodolMrunc
mxtun * lodocblorocjrclohuunc
l.l'-blphnrl
7
lromup<>th«l«i>«
1,1' -UcTcloh*xTl-2-«thyl
Hlxtura 7 » lioatr of M
7
7
CtaraOKktle lorn In M» Sftaram
112(100)77(79)114(31)51(31)50(30)78(5)
83(100)42(66)41(66)54(44)55(43)69(30)97(12)
67(100)87(42)55(36)41(35)54(33)118(1)120(0.3)
57(lOO)«(»l)71(3o)85 (22)99(5) 142(3)
57 (100)80(26)81(18)41(18) 88(12)98(9) 134(4)136(1)
43(100)81(50)71(41)108(33)111(30)139(18)154(16) ^
45(100)59(43)72(40)73(38)123(10)
81(100)87 (68)88(55)89(50)110(47) 95(40)124(4) 132(3)
57(100)43(93)71(46)85(22)156(2)
81(100)79(80)53(60)77(58)105(39)51(34)148(2)
81(100)99(50)57(40)55(36)79(30)127(6)128(4)226(2)
33(100)67(99)81(97)117(28)127(15)244(8)246(3)
154(100)153(40)152(27)115(21)76(17)51(16)63(14)
77(104)107(67)51(36)137(24)152(20)
127 (100) 126 (21)63 (22 )206(74) 207 (71)
83(100)55(50)111(26)41(20)194(5)
63(100)55(86)112(55)41(50)109(31)165(32)203(4)
83(100)55(86)165(58)95(59)41(49)109(42)
93(100)188(56)271(2)
Compound
Benzene, chloro
Cyc 1 ohexanone ,4 -«M thyl
Cyclohcxane, ehloro
Decene
Cyclohexaool.4-chloro
2-Ozablcyclo(2,2,2)octu»;l.3,3-trl»*thyl
Cyclopenune ,2-«thyll(l«n«-l , l-dl«»chyl
Dodecane
Cyclohexeiie ,3-[ 2 -propynyl]
Napbtbaleoa . 1 -broan
l.l'-61cTelohexTl.2-athTl-.trai»
5.1.
xlO3
582
359
584
889
567
707
558
772
408
575
301
_
-------
TABLE A-132. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. A9E
vo
OJ
QC
ft*
No.
1
4
M«
1416
1545
AJMUM.
f*A
*
**
TmrtM
MMifiatioii
taldMolUlae, Cj AUrlthenrl
lalduolldlM, C3 AUrlphenyl
T
I«M»r of »3
J
CtaracMitic lorn in MM tecmm
85(100)57(67)56(61)91(36)117(17)
99(100)70(64)162(58)91 (42)71(40) 117 (12)190(14)
100(100)77(22)44(15)72(14)182(6)167(3)
100(100)72(66)77(39)44(50)56(21)180(10)
58(100)71(58)167 (19)180(14)182(8)183(4)184(0.2)
— — — — — — — — _
Compound
•
^•^^•i
it.
J 1QJ
TABLE A-133. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 50VE
PMk
No
I
2
3
4
5
6
7
8
9
10
11
12
13
14
15
letentlo
Tioe
0.14
0.18
0.24
0.36
0.64
1.00
1.20
1.21
1.24
1.35
1.41
1.41
1.44
1.45
1.48
Amount
Ml/1
1-10
<1
<1
1-10
—
<1
<1
<1
<1
<1
<1
<1
<1
1-10
T«it«tiv*
Identification
Air
Dlchloromethane
Chlorofom
1 ( 2-d ichloropropane
1 • 2 ,2-trlctilDropropane
I S
C3 alkyl benzene
dlchlorobenzene
C^ alkyl benzene
C4 alkyl benzene
C^ alkyl benzene
C alkyl benzene
C10H12 eg C2 »t)'rene
C^ alkyl benzene
tr Ichlorobenzene
Chwsctaristic Ions in Mm Spectrum
44(100)
49(100)
83(100)
63(100)62(70)41(55)71(50)65(30) Sn 97.99,112 114
97(100)99,111(70)113(45) Sm 131,133,135
75(100)
105(100)120(45)
146(100)148(70)111(33)75(25)
105(100)120(50)
119(100)134(30)
119(100)134(30)
119(100)134(40)
117(100)132(40)115(38)133(28)
119(100)134(40)
180(100)182(95)184(40)145(25)H7(15)
-------
TABLE A-134. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 50E
oc
No.
I
2
3
4
i
6
7
1
9
10
11
855
1003
1007
1213
1360
1501
1658
1674
1700
2337
2511
Amount.
(••/I
**
**
**
«,
«
«.
**
**
***
**
*4
lanuuv*
1 . 3-Dloxolan«-2-(chloroMthyl)
2-Prop«nol , 1- (2-«tho«y-i-«thTl«thoiT)
" ItamfT of »2
BenEanAaethuuiaLne.H.aethTl ,N-nltro«o
NltrtMnlllne
Chloroalkylsubet. -phenol
2 ,4-Hi (1-wthylbutyl) -ph«nol
C > H, Uk«o«
?
7
Bli(2-*thrlhexyl)phtKaUt<
ChmcMfWk torn in MM Spwmm
73(100)45(46)121(16)97(6)123(5)
59(100)45(60H03(28173(2»>104f41
59(100)45(62)73(28)103(26)
91 (100) 120(63)92(48) 150(28)65(20)51(10) 151(3)
65(100)138(83)92(58)60(30)52(24)119(26)139(6)121(6)
108(100)91(44)107(36)65(22)200(16)202(5)
205(100)71(26)43(24)206(16)234(6)
57(100)43(70)41(42)76(59)85(47)99(14)148(4)
44(100)68(83)201(78)186(57)173(46)96(40)203(26)214(6)
91(100)117(24)65(12)155(5)147(4)207(6)208(5)
149(100)57(44)71(28)167(28)113(10)
Compound
l,3-OioKoUnc,2-(chloroBcthyl)
2-Prop«nol,l-(2-~thoiT-l-n»thyUtho»v)
it
Benrene«eth«n«aln«.K-««thYl-N-nltroto
BenEenen«mine,3-nltro
Phenol. 2, 4-bll (l-*cthirl butyl).
Pentacoeane
1.2-BenxenmllcaTbo^Tl.lc acid, dllaopropv
• •ter
S.I.
.1(|3
343
711
672
374
373
433
646
163
-------
TABLE A-135. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 50E
GC
PMk
No.
1
1
)
4
5
6
7
I
9
10
11
12
13
14
1268
1299
1341
1361
1364
1554
1567
1628
1705
1073
1906
2333
2399
2475
*
*
**
*
**
*
**
**
**
#*
***
**
**
**
flydroxyb*nc*neacetlc acid
Trich lorophenol
Bcnzenedlearboxylle «cid monomtthyl «*t«
TriMthylbttiicolc acid
TriMthyl benzole acid
Hydroxy-trljathylbcnMic «id
Chloro- T
Dichloro- T
Broaa- r
7
T
Chloro- 7
Chloro- 7
Chloro- 7
OMncMrttc lorn tei MM SpMrum
77(100) 107 <95>161<&%)56(34)79(38) 162 (8)
195(100)197(96)199(30)167(76)169(72)210(50)212(46)214(15)
41(100)91(45)180(41)107(30)121(29)77(16)65(13)181(2)
147(100) 146(64)178(37) 119(36)91 (34) 163(13)
147(100)146(61)119(55)91(53)178(52)77(25)179(6)
205(100)133(79)134(56)77(50)164(60)194(40)195(4)
113(100)141(93)151(91)77(70)217(92)219(19)
126(100)154(66)95(54)188(64)190(41)253(36)255(25)257(4)
246(100)248(100)75(81)62(72)276(42)278(42)
205(100)57(59)91(43)175(64)177(54)217(29)261(6)2710)
41(100)147(64)161(16)277(35)292(16)219(15)293(2)
101(100)77(66)79(29)262(13)264(4)326(8)328(4)
106(100)77(78)90(48)126(24)296(16)197(14)232(12)298(6)
65(100)92(96)90(87)126(80)282(65)284(23)217(19)
Cofnpowd
B«nzen*«c«Clc acld»a^iydroxy.«»thyl *tt*
B«»zen«,l,3,5-Trl chloro -2 -••thoxjr
Bcnxolc acid^^.S-TrlMthyl-Mthyl eitar
B«nxolc «cld,2,4.5-Trl*tChyl-««thyI t»t*
il. "
515
784
617
560
TABLE A-136. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 50E
PMk
No.
1
2
3
4
5
6
Hrantkxi
Into
977
1067
1147
1163
1182
1195
AlMMNIt.
«*i
*
*
**
Tm«iM
hMMUkaflOii
(Mthjrlpjrrldliw
MethjrlnlllM
C4-Alk7lpyrldlM
2-Mtthoxr«nllln«
3-Mechyl.5-Ecfaoxypyr«zolc
BraiaoucccviU*, H-CAnlnoc.rbonrU
OmcMMc lorn U. MM SpKtnmi
93(100>6»(100)5«(60)92<40)94(23)63(1«)52(16)
106(100)107 ((9)77(22)70(18)51(10)
120(100)77(30)130(22)51(12)
80(100)108(80)123(53)53(18)
98(100)97(40)126(32)67(22)
lUaOO)91(36)134(32)ll6(2()6S(lS)17S(U)179(2)
Compound
Pyridtm, 3-H.tfcjl
l,2-Eth*ne4luilii*. «,«' -01H«thyl-S,!(' -
Bcnzcnaadnc, 2-Mcth«xy
Kenxencactavide! H (fcalnnrirVrrtnjI)
11.
4(4
626
511
70*
228
-------
TABLE A-137. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 51VI
GC
Pnk
No.
1
2
3
4
5
6
7
8
9
10
11
12
Relative
Retentioi
Time
0.13
0.17
0.18
0.24
0.25
0.27
0.28
0.29
0.38
0.40
0.75
1.00
Amount.
cg/l
—
1-10
10-20
M.
1-10
<1
1-10
1-10
80-100
VI
1-10
-(8)
Tentative
Identification
Air
Dlethylether
Dlchloronethane
Chlorofonn
1,1-di-propoxyethane (T)
Tetrahydrofuran
Die hloroe thane
1 ,1 ,1-Trichloroethane
Dlchloropropane
Trlchloroethylene
1,1,2, 2-Te t rachloroe thene
IS
Charactarntic Ions in Man Spectrum
44(100)
59(100)45(98)74(58)
49(100)84(40)
83(100)85(67)
45(100)43(45)87(22)59(15)95(6)
42(100)71,72(33)
62(100)49(38)64(33)98(12)
97(100)99(67)61(55)63(18)117,119(14)
63(100)62(70)41(50)65(30)76(28) Sn 112,114
95(100)130(78)132(76)97(63)134(33)
166(100)129(89)131(88)164(82)
75(100)77(33)
-------
TABLE A-138. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 51VE
VO
GC
Peak
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
telative
tetentlon
ime
0.12
0.16
0.16
0.19
0.20
0.22
0.24
0.25
0.26
0.34
0.36
0.45
0.49
0.67
1.00
Amount.
Pi/I
—
1-10
10-100
<1
<1
1-10
<1
1-10
<1
10-100
<1
<1
<1
1-10
-(8)
Tentative
Identification
Air
Chloropropene + Diethyl echer
Dlchloroaethane
Methylp«ntane
C&H14
Chloroform
Tetrahydrofuran
Dlchloroethane
1 • 1 ,1-Trlchloroethane
Dlchloropropaae
Trichloroethylene
TetlaaethylcyclopropaiM (T)
C8H16. e.g., DieKthylcyclohexane
Fetrachloroethene
S
Characterntic lorn in Matt Spectrum
44(100)
74(100)59(85)41(78)39(65)45(30)76(27)78(10)
84 (100)49 (99)86(95)
43(100)42(55)41(33)71(22)86(2)
57(100)41(82)56(78)43(53)72(9)86(4)
83(100)85(67)47(55)
42(100)41(80)39(45)55(38)72(35)71(34)
62(100)49(50)64(33)98(8)100(6)
7(100)99(70)61(51)119(18)117(16)
3(100)62(70)41(50)39(35)65(30)76(26)
5(100)130(80)132(80)97(70)
5(100)83(78)41(62)39,56(42)69(32)98(32)
5(100)97(67)69(45)112(20)
66(100)131(95)129(94)164(80)
5(100)77(33)
•
-------
TABLE A-139. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 51E
00
GC
Pi*
No.
1
2
3
4
5
6
7
a
9
MMttMNl
Mm
949
SW
1051
1073
1100
1131
1183
11S7
1350
Amount
n*
**
*
***
*
*
**
*
*
**
UwrtifiGMion
Chlorobencene
Chtorocyclohcxanol
Nltrobcnxeoe
Bro«ocyc lohcxano 1
ftroaochlorocyc lohcxanc
Nltrocycloh«x*o*
B«lo-cy c lohwuM
lUlo-cyclohexutc
l.l'-Blphnyl
112<100)77(76)114(32)51<29)50(28)74(12)
57 (100)80(26)81 (18)98(8) 105(3)1W(2) 116(1)
77(100)51(70)123(36)50(29)65(16)93(14)
81(100)57(66)99(27)134(3)132(2)
81(100)79(18)53(13)41(12)117(6)119(2)
81(100)79(86)53(69)41(51)97(21)127(4)
81(100)89(29)41(28)57(26)55(25)79(23)127(5)128(3)
81(100)41(33)55(29)57(24)79(23)98(7)
154(100)153(41)152(29)155(12)76(20)51(16)115(7)
Compound
Benzene , chloro
Cyclohexanol,4-chloro
Benzene, nitro-
CyclohexAnol , 2 -bran
Cyc lohexane , I -broto-2 -chloro
l.l'-Blphcnyl
S.I.
x10»
398
564
711
472
451
581
-------
TABLE A-140. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 52VE
VO
GC
PM*
No.
1
2
3
4
5
6
7
<
9
10
11
12
13
It
13
16
17
18
19
20
21
22
23
24
25
ReUtiv
Recencl
Tl«e
.15
.16
.18
.22
.25
.27
.34
.34
.41
.52
.57
.61
.83
.90
.92
.96
-.98
1.00
1.07
1.12
1.20
1.23
1.24
1.29
1.30
1.57
Amount
Xlfl
—
10-100
MOO
1-10
10-100
1-10
1-10
1-10
1-10
1-10
»100
»100
»100
10-100
•vlOO
10-100
1-10
1-10
-(«)
<1
•V.1
<1
<1
1-10
1-10
<1
<1
Identification
Air
Acetone
Dlehlorowethane
Dllsoproprl ether
Dlliopropyl ether
1 , 1 ,l-Trichloroeth*ne
Benzene
BroBOdlchloroaethane
Trlchloroethylene
CflH1A. e.g. Trliaethjrl pentene
Toluene
Toluene
Toluene
Chlorobenzene
C, Alkyl benzene
C2 AlkTl benzene
Cyclooetatetraene
C? Alkyl benzene
I.S.
C1 Alkyl benzene
Chlorotoluene
Alkane
Dlchlorobenzene
Dl Chlorobenzene
Dlchlorobenzene
C. Alkyl benzene
Unknown
Oimtmiilic km in Mm Sptanm
44(100)
43(100)58(30)
49(100)84(35)
45(100)43(45)41 (15)87(10) 59(8)69(2)
43(100)45(00)41(48)87(40)59(30)69(10)
97(100)61(78)
78(100)
83(100)85(67)47(30)127(6)
95(100)60.97(73)62(50)132(31)
57(100)41(60)55(29)39(19)69,97(5)112(4)
91(100)92(60)
91(100)92(60)
91(100)92(60)
112(100)77(80)
91(100)106(30)
91(100)106(42)
04(100)78(55)103(50)51(40)77(28)
91(100)106(40)
5(100)77(33)
05(100)120(28)
1(100)126(20)89(18)128(9)
7(100)43(38)56(37)43(36)71(18)
46(100)75(88)57,111(74)55(70)148(62)74(60)56(55)73.37(32)113(28)150(1
46(100)75(86)111(70)148(65)
46(100)148(62)111(57)75(52)
19(100) S« 134
4(100)180(85)182(78)100(60)147(32)184(25)
-------
TABLE A-141. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 52E
to
o
o
•eek
No.
1
i
3
*
5
6
7
>
»
10
U
u
13
16
17
RMPrtio*
Mm .
896
986
1002
1044
1047
1061
1091
1135
1169
1171
me
196*
1971
2013
2102
Annum.
Kf/l
**
**
TMtttitt
tdentiftcetion
Phenol
Benzole Acid * ft
Hethylphenol
Dlaethylphenol
Trlehlorophenol (M*thyUted)
Benteneftulfonzmlde M.4-Dl«»thyl
Phenol, 2.6-l4(hydroiyphenyl)41z*torl)
Fhnol. 2-[4(H7dn»ypk«iyl)B.tlirl]-
C > 11 F«tty icld
fh.no! 2-[4-(HTb«n7l)«tbTU
!-Ph«uuithT«wcarboX7lle Acid Octahydio,
l,4-01-.thTl-7-(l-H.Oijl.tJijl) M.thrl
Eat«r
ChmeMrMc km in MM feraiim
108(100)78(79)65(74)93(18)51(16)109(8)
128(100)64(35)130(32)92(16)100(0)
94(100)66(85)65(56)40(64)95(12)
108(100) 107 07)77(44)79(43)90(24) 172(20) 174(19)
105(100)77(60)136(36)51(20)
107(100)108(12)77(34)79(24)109(6)
142 (100) 99(84) 107 (76)127 (55) 108(52) 77 (42) 144(32 )63 (27)
107(100)122(81)121(49)91(40)77(34)150(4)
186(100)187(97)143(59)145(58)63(42)92(30)171(41)173(40)
119(100)91(58)150(37)107(26)65(20)186(2)188(2)
195(100) 197 (97)167(61)16»(59)210(54)212(51)214(17)97 (20)
91(100)85(28)155(24)121(21)185(23)
108(100)52(18)77(12)91(11)214(36)181(24)183(7)
107 (100) 94 (36)77 (20) 152 (18)200(56) 181 (15) 165(4)
74(100)87(84)143(26)199(9)255(4)296(3)
107(100)77(28)152(18)153(16)200(85)199(41)201(11)
239(100)240(19)197(15) 141(20)129(17)150(16)299(11)314(5)
Compound
Bcnxene, Motboxy.
Phenol, 2-chloro-
Fhtnol
Benzole Acid, Methyl Eiter
Phenol, 2-Mechyl-
Benzene, l-Oiloro-44lethoxy
Phenol, 2,4-Dt«.Chyl
Benzene, l-Broao-2-ltethoKy
Benzole Acid, S-Hethyl-MeCh^l E>ter
Benzene, l,2,4-Trlehlon>-5-«eclio«y
Benzene Sulfoimlde, M,4.Dlz«thyl
Phenol, 2-|(4-IIydro»yphenyl) Methyl]
Bepcedeeenolc Acid, 16-Methyl, Methyl
Eeter
Phenol, 2| (4.Hydroiyphenyl) Methyl]
1-Fhenenthrenecerboxyllc Acid OcCehydro,
l,4-Dle«thyl-7.(l Methylethyl) Methyl
Eeter
ii. '
541
455
470
415
666
350
593
412
321
513
591
5%
583
522
696
-------
TABLE A-142. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 52E
ro
o
oc
tak
No.
2
]
4
5
6
namHtan
tndi«
Mi
890
»71
1032
1311 ,
2017
Amount.
n/1
***
TontttiM
CyclohuylMliM
HydraijMthrllriitaxoli <«1
Ithanol. 2-(Dl.thyl4rino)
Methrlprrldln.
5-H<»n-3)ni-2aiM. 6-(l-rip*rldlayl)
l,2-Dlcr«:loh.^lar«
OMraetiriitk lam In MM gtMCtrum
56(100)4J(26)99(!0) 70(11)
5«(100)«<(6«)81(42)42O2)53(32)6»*}l)97(3i)99(20)
86(100)58(60)42(17)102(13)117(7)
93(100)66(32)65(16)92(12)94(6)
94(100)148(77)134(65)177(50)122(38)52(32)81(27)
56(1«))55(43)99(42)U3(41)98(2*)224(14)
Compound
Cyc lohexMn ^D«
Ethuol. 2-DltChylMlDO-
Pjrldlne, 3-Hethyl
S-fercn-3- Tn-on«,6
-------
TABLE A-143. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 53VE
O
S3
GC
Peak
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
IS
16
17
18
19
20
21
22
latlve
etention
Tine
0.13
0.13
0.15
0.16
0.17
0.18
0.21
0.22
0.26
0.26
0.28
0.32
0.35
0.35
0.53
0.56
0.68
0.88
0.90
0.98
1.00
1.07
Amount.
cg/i
—
T,l
10-100
1-10
10-100
10-100
1-10
10-100
1-10
1-10
1-10
1-10
1-10
1-10
10-100
10-100
1-10
<1
1-10
1-10
-C8)
<1
Tentative
Identification
Air
Butene
tee tone
Dichloroethylene
Dlchloromethane
Carbon diaulfide
Dichloroethylene
Chloroform
Trlchloroethylene
Hethylbutyl adehyde (T)
Benzene
C7Hi
-------
TABLE A-14A. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 53E
NJ
O
u>
oc
Peek
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
It
17
18
19
20
21
22
23
886
944
958
988
997
1049
1099
1110
12 15
1288
1354
1504
1707
180*
1883
1913
2010
2070
2083
2114
2330
2415
2518
ye/1
***
**
«
**
**
**
**
**
**
**
**
**
**
**
**
***
**
**
e*.
***
**
*
*
lenlaWO
Phenol
dtlorophenol * Hethylphanol
Benzole Acid + Brcenphenol
Methylpbenol
Chloroewthylpheool + «4
C > 7 fmtty Acid
Beueneacetlc Acid
Mathjrlbrceu|>h«nol » 7
Benx«ieiirop«iiolc Acid
Trlchloraphmal * Fatty Acid
techylbrooopheno 1
Do4ecu»lc Acid
Tetndeonoli: Acid
Pentadecanolc Acid
C > 15 F.tcy Acid
Huadicuote Acid
C > 17 Fatty Acid
Octad«cadl«nolc Acid
Occadccanolc Acid
C > 18 Fatty Acid
C > 18 Fatcy Acid
C > 18 Fact; Acid
amcMrinic lorn hi MM Spacmmi
94(100)66(44)65(27)55(6)95(6)
10X100) 107(96)77(48)79(43)51(11) 90(22) 142(6) 144(2)
105(100)77(64)136(36)51(24)172(14)174(14)
107(100)108(83)77(36)79(25)51(12)53(10)
107(100) 108(56)77(41) 142 (27)144(»)
74(100)87(46)55(24)59(18)115(8)
91(100)150(27)65(18)89(8)59(6)
107 (100) 77 (60) 120(54) 92(43) 152 (26) 186(60) 188(59)
104(100)91(56)105(37)164(28)77(22)128(16)65(14)51(10)133(8)
74(100)87(62)143(20)55(20)59(14)
107(100)186(84)188(84)77(76)51(24)121(10)151(8)
74(100)87(71)55(20)43(17)143(14)214(2)
74(100)87(76)55(22)43(20)143(20)199(10)242(1)
74(100)87(82)43(18)55(24)143(21)210(10)256(2)
55(100)74(70)87(51)236(3)237(2)
74(100)87(82)43(24)55(22)143(20)270(2)239(1)
74(150)87(82)143(23)43(31)55(24)241(4)284(2)
67(100)81(90)55(59)95(60)109(30)294(2)262(2)263(1)
55(100)69(74)74(72)87(57)97(56)264(7)265(5)296(1)
74(100)67(82)143(24)199(8)255(4)298(3)267(1)269(0.5)
169(100)87(83)55(68)74(38)129(28)143(25)172(16)201(10)
74(100)87(90)143(30)283(4)326(4)
74(100)87(84)143(28)
Compound
Phenol
Phenol, 2-Methjrl-
Bentalc Acid, Methyl Eater
Phenol, 2 -Methyl -
Phenol, 4-Chloro-2-Nethyl-
Hexanolc Acid, 5-Hethyl-, Methyl Eiter
Benzeneaceclc Acid, Hethjl Ester
Benzene Propanolc Acid, Kethyl Ecter
Decenolc Acid, Mathyl Biter
Dodacanolc Acid. Methyl Eater
Tetradecanolc Acid, Methyl Eater
Tetradecanolc Acid, 12 -Methyl -Methyl Elte
10-Undecenolc Acid, Methyl Eater
Henadecenolc Acid, Methyl Eater
Heiandecanolc Acid, 14-Methyl-. Methyl
Eater
9,ll?Oi-riuW>dlenclc Acid, Methyl Eater
9-Octad«cenolc Acid, Methyl Cater
Heptadecanolc Acid, 16-«ethyl-. Methyl
Eater
Hexadecanolc Acid, Methyl Eater
Trlaconcanolc Acid, Methyl Eater
S.I.
« 103
529
522
247
645
350
359
652
507
260
653
607
422
408
689
508
528
742
702
508
507
TABLE A-145. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 53E
GC
Peek
No.
I
2
tettntion
"idea
865
1205
Amount,
m/i
***
**
IdtntafiotioA
N^-DlaMthylaceccBlde
QulDolinc
QmnctfrtgOf torn tn MM Spvctrum
87(100)44(84)43(SS)42(42)72(40)M( 6)
129(100)102 00)128f21)130(10)74(12)76(12)50(9)
Compound
N,N-Dlxthylecetulde
Qulnollne
S.I.
>103
623
739
-------
TABLE A-146. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. SAVE
to
o
oc
No.
1
2
1
4
5
6
7
1
9
10
It
12
13
14
IS
16
17
18
19
20
21
22
2}
24
25
26
27
28
29
10
elat Ive
etentloi
TIM
0.15
0.16
0.16
0.19
0.19
0.20
0.21
0.22
0.24
0.25
0.26
0.28
0.30
0.33
0.34
0.16
0.41
0.46
0.55
0.68
0.69
0.70
0.73
0.80
0.82
0.87
0.88
11.89
O.9J
Amount.
«•/!
—
10-100
10-100
>100
<1
1-10
1-10
1-10
•no
<1
1-10
10-100
10-100
<1
<1
<1
10-100
<1
1-10
10-100
<1
1-10
<1
1-10
-------
TABLE A-146. (Continued)
ro
O
l-n
GC
n*
No.
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
5ft
57
5H
Brl.ilivc
Retentlo
Time
.93
.96
.97
.98
1.00
1.00
1.05
1. 07
1.08
1.12
1.16
1.16
1.18
1.18
1.20
1.22
1.24
1.25
1.27
1.29
1.29
1.32
1.33
1.33
1.35
1.37
1.38
1.18
Amount.
*•/>
<1
Al
< 1
10-10O
-(8)
1-10
1-10
lilO
1-10
1-10
10-100
1-10
10-100
10-100
10-100
10-100
1-10
10-100
•*io
1-10
1-10
10-100
1-10
A 10
MO
i-IO
1. 10
10-1011
uJr£L
Hydrocarbon
C,H18
C2 Alky! benzene T ?
Cj Alkyl benzene
IS
C9 HIS Alkene
C, H18 Alkene
GH H20 Alkene
C3 Alkyl benzene
? Alkyl benzene
Cj Alkyl benzene
Alkane
Cj Alkyl benzene
Cj Alkyl benzene
Cj Alkyl benzene
C) Alkyl benzene
ClO H20< e8' ^ Alkylcyclohoone
C3 Alkyl benzene
Dlchlorc benzene
C4 Alkyl benzene
C^ Alkyl benzene
Dlchlorobenzene + Alk«ne
C^ Alkyl benzene
Hethyl Styrene
C10 "16 e.«. Llmonene
Hydrocarbon
<:« Alkyl nvnEcnc
(:4 Alhyl benzene
Chormriltic Ion n Mai Spectrum
43(100)84.41(22)85(18157(17)
43(100)57(25)85(15)111(8)126(5)
55(100)91(60)106(30)
91(100)106(45)
75(100)
55(100)97(40)41(38)69(18)126(3)
55(100)97(62)41(40)69(30)126(10)
43(100)57(68)85(12)71(11)128(1)
105(100)120(25)
55(100)83(85)82,41(45)126(5)
91(100) 120(12)
57(100)43(70)71(55)41(50)56(30)113(8)
105(100)120(32)
105(100)120(30)
105(100)120(50)
105(100)120(30)
55(100)97(50)96(30)81(15)140(3)
105(100)120(40)
146(100)148(65)111(58)113(18)150(10)
91(100)134(20)
105(100)134(20)
43(100)57(98)41(42)71(32)146(25)148(7)
119(100)91(32)134(22)
117(100)118(55)115(32)91(22)119(16)
68(100)67(77)93(40)107(11)121(10)136(5)
43(100)57(70)71(70)83(50)
105(100)119(90)134(40)
105(100)134(20)
-------
TABLE A-147. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMELE NO. 54E
10
o
Auk
No.
2
3
4
5
6
7
•
10
12
13
14
IJ
10
11
20
21
22
23
24
26
27
JO
Mac
863
869
$74
889
Ml
957
973
911
1005
1103
1204
1248
1283
1304
1311
1403
1468
1SOS
1S24
USD
1604
16SS
1705
1715
1805
U17
Amount.
MI/I
**
**
**
**
T«it*tiv>
htomificnion
Xyltne
r-Alkylb«ni«n«
C.j-Jllkylb.nt.11.
C.^lkylb«Di«Qtt
C • 10 alknic
Cj-tlkylbMW*
C4-Uk7lb»r«n«
C - 11 clkuw
C4-ilkylb«i.«.
c5-Uk,ll-..m«
MBtbylnaphthAUnc
HBChylaaphthalane
C > 13 Alkuie
C > IJ Alktnc
OlxchylMphtlulenc
Dixthrlniphthairo <• T«trad«c*n«
C > 14 A Ikiiw « r
f.nt.d.c.0.
C > 15 *lk«n«
C > 15 Alkane . T
C > 16 Alk*iw
K«ptadecan«
C > 17 Mkue
Occadecuie
C > 18 Mk«nc
Onntuilillc lorn In M»» SpWmm
91(100)106(42)
105(100)120(67)77(11)
105(100)120(28)57(38)
_105ilOOJ 40(99)41(90) 120(44)77(20)91(17)121(4)
J1(100)40(96)57(58)71(28)85(18)142(2)
JPAaOP) 120(36)77 (16)91 (15)51(8)65(6)
119(100) 134(24)91 (23)
119(100)134(22)
42(100)43(96)41(94)57(94)71(97)85(54)156(5)157(0.5)
119(100)40(88)134(35)91(24)
133(100)119(61)91(33)148(33)
57(100)42(98)43(92)41(86)58(88)71(92)85(90)170(6)
42(100)41(89)43(67)57(84)71(70)98(16)85(14)184(0.3)
142(100)141(97)41(82)115(60)143(13)160(2)
142(100)141(99.5)41(92)115(69)143(14)
43(100)57(94)71(96)85(91)99(1»184(4)185(0.2)
43(100)57(63)141(63)71(31)85(20)115(18)156(24)193(3)
43(100)57(86)71(88)85(48)113(12)127(12)183(1)
156(100)141(87)115(27)128(20)155(35)157(12)
58(100)44(99.5)65(94)71(90)141(76)156(77)198(4)
85(96)71(88)57(82)58(79)55(66)99(33)141(11)183(3)
71(100)58(99)44(99)85(90)99(34)155(20)212(1)
43(100)57(58)55(56)83(68)97(16)169(7)
43(100)57(50)71(48)85(30)
71(100)58(99)44(98)85(84)99(43)113(24)169(11)227(1)
58(100)42(91)85(82)71(74)99(30)113(26)169(10)
71(100)58(99)44(99)85(88)99(42)113(24)127(14)240(1)
71(100)58(98)44(81)85(80)99(35)113(42)127(16)
71(100)58(99)44(98)85(88)99(46)113(28)
43(100)71(86)57(76)85(75)113(23)127(18)
Dec«ne(4-a*thyl
8enz«M.l-Mthyl-4-(l-«»thyl ethyl)
Trldecuie ,4 . 8-dl« thyl
N«phthhth«lciie,l,2-dl>»thyl
Hcxadeeane
Hvxadpccnc .2 .6 , 10, 14-tetravethyl
ii.
411
373
440
276
378
462
306
500
-------
TABLE A-147. (Continued)
GC
*•*
No.
31
32
33
niM.llon
1906
2003
2106
Hf<
«*
•*
*•
Tmttfiw
MvntrficMiofi
HOUdKU.
Elcosane
HmelcoMne
Ckmrioie lorn hi MM 4Mnm>
43(100) 58(98)85(90)71(84)99(37)113 (22)127 (13)
43(100)85(96)71(94)57(90)99(31) 113(19)127 (12)
41(100)57(94)71(64)85(42)99(12)113(6)
Compound
Etco»ae , 10-wchjl
.103
510
TABLE A-148. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 54E
to
O
GC
PMk
No.
1
2
3
4
S
«
7
1
9
952
1034
1061
1100
1133
1167
1200
1255
1316
***
**
**
*
**
**
*
**
*
(tethrlprrtdlne
Maehylulltni
Dl*eth;lanlllM
C3-AlkrlpyTl<)lo«
DUKthyUnlllii*
ChlorotolueiM
H.H-DUthyUDllln.
*c*UmUt. M-(4-Bro«opbCT7l)
fyrldloe 3(-l'H«Ch7l-2.P7r«oll
-------
TABLE A-149. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 55VE
10
o
oo
GC
PHk
No.
1.
2
3
4
5
6
7
a
9
10
11
12
13
14
15
16
17
18
19
20
Relative
Retentlo
Tl»e
.13
.15
.16
.17
.23
.24
.26
.27
.30
.35
.37
.46
.57
.61
.89
.92
.98
1.00
1.26
1.31
Amount.
PS/I
—
500-1000
1-10
500-1000
•v.20
tlO
<1
<1
xl
1-10
1-10
1-10
»100
<1
1-10
1-10
1-10
-(8)
10-20
10-20
Tentative
Identification
Air
Acetone
Unknown (weak)
Dlchlorovethane
Chlorofor*
Dllsopropyl ether
Tetrahydrofuran
1»1. 1-Trlchloroethane
Benzene
Cyclohexene
BroBodlchloroaethane
c«Hlf e.s. Trlaethyl pentene
Toluene
Dlbronochlorone thane
Ethyl benzene
•-.p-xylene
o-Xylene
I.S.
Dlchlorobenzene
Dlchlorobenzene
CtMracuristic lorn in Man Spectrum
44(100)
43(100)58(40)
45(100)43(63)46(37)41(12)53(5)55(4)
49(100)84(40)
83(100)85(67)
45(100)43(40)87(18)59(12)69(4)
42(100)71(30)41,72(30)85(10) ?
97(100)61(80)99(67)
78(100)
67(100)54(78)39(46)41,82(38)
83(100)85(60)47(28)129(8)
57(100)41(50)55(30)69,97,112(6)
91(100)92(60)
129(100)127(80)131(40)
91(100)106(30)
91(100)106(42)
91(100)106(40)
75(100)77(33)
146(100)148(68)75.111(54)
146(100)148(62)75,111(63)
-------
TABLE A-150. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 56VE
to
o
GC
P«k
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
Relative
Retentlo
Tlae
.11
.14
.16
.22
.29
.35
.54
.79
.88
.91
.98
1.00
1.25
1.29
Amount,
*!(/!
—
MO
10-100
>100
10-100
1-10
10-100
10-100
1-10
1-10
1-10
-(8)
10-100
•\,10
Tentative
Identification
Air
Trichlorofluoroaethane
Dlchloronethane
Dllaopropyl ether
Benzene
Bronodlchlorove thane
Toluene
Chlorobenzene
C. Alkyl benzene
C. Alkyl benzene
O-xylene
I.S.
Dichlorobenzene
Dlchlorobenzene
Characteristic lorn in Mats Spectrum
44(100)
101(100)103(67)
49(100)84(60)
43(100)45(100)41,87(44)59(28)
78(100)
83(100)85(67)129(6)127(4)
91(100)92(60)
112(100)77(90)114(33)
91(100)106(30)
91(100)106(45)
91(100)106(42)
75(100)77(33)
146(100)148(67)
146(100)148(67)
-------
TABLE A-151. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 56E
S3
H>
O
PMk
1
2
3
4
i
6
7
8
9
10
11
12
13
14
IS
16
17
18
19
20
MBI
Ml
(67
873
899
921
987
1008
1035
1078
1108
1122
1149
1181
1256
1297
1431
1591
1605
1774
1955
KfA
**
Tentative
Utntificvtion
Chlorobenzene
Xylene
Xylene
C«3CH2-O(CH20)«-C2.H5 polyver
HoBdlog of *4
Dlchlorobenzene
Dlchloro benzene
Dlchlorobenzene
Hoenlog of *4
1
»
Trlchlorobencane
Trichlorobenxene
Bomlot of *4
?
Hoenlog of *4
Boaolog of *4
Hoettlog of #4
Honlog of 44
Houolog of »4
ClwKttnnic km in ftta SpKtrum
112(100)77(68)114(34)50(28)51(25)
91(100)59(42)106(29)57(14)
91(100)106(44)105(23)77(14)
76(100)74(50)41(35)105(20)135(2)
45(100)75(70)105(20)135(7)
146(100)148(64)111(51)75(48)113(18)150(11)
146(100)148(63)111(52)75(48)30(28)150(11)
146(100)111(50)148(44)67(37)
105 (96) 91 (28) 135 (14) 107 (14)
61(100)41(85)91(34)43(30)121(2)
78(100)106(43)136(28)51(20)137(2)
180(100)182(97)74(46)109(40)145(39)184(30)147(26)
180(100)
45(100)75(78) 105(38) 107(12)139(10)
112(100)77(95)140(65)51(43)114(32)142(24)170(24)172(12)
45(100)75(75)105(45)107(20)135(20)165(2)
45(100)25(70)105(56)135(33)107(22)165(5)
135(100)105(100)107(89)91(55)121(37)165(13)
45(100)75(80)105(70)135(45)165(12)195(2)
45 (100) 75 (70) 105(60) 135 (44) 165(24) 195 (3)
Mo« RMHMbto Bennn MMdi
Compound
Benzene f 1 , 2 -dlchloro
Benzene , 1 ,2 ,4-trlchloro
Benzene,! ,2 ,4-CTlchloro
S.I.
571
563
561
502
447
450
-------
TABLE A-152. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 56E
PMk
No.
1
1
3
4
i
6
7
8
9
10
11
12
1J
IIMMIIUII
MB
90*
9(9
1017
1058
1070
1101
1143
1169
1241
1818
19«7
2009
2040
Amount.
KtA
*
**
TMMiw
khntificjtion
T (tutor.
Chlorophcnol
Ph.no!
Tolymn T
Chlorobcuole Acid
Mlitur.
BoMlog of »4
Hcaolo* of M
Phraol. 2.6-[4-(Hydroiyi*«iirl) 17 r«»r Acid
CtaneMMc lorn • MM SpKnm
61(100)91 (54)60(24)44(18)89(14) 121(1)
128(100)130(32)64 (35)63 (29) 92 (16)
94(100)66(50)65(30)40(26)95(6)
41(100) 75(84)105 (28)135(6)107 (6)
105(100)77(70)136(33)51(26)172(6)174(6)
61(100)91(22)44(11)107(10)108(8)121(1)119(0.3)
120(100)92(77)152(49)63(28)161(32)176(30)178(1.)
45(100)75(64)105(35)135(11)117(10)136(1)
45(100)75(68)105(48)135(22)107(18)165(1)
108(100)214(41) 181 (26) 152 (20) 77(15)215 (6)
107(100)200(70)94(37)77(27)132(23)181(20)201(10)
55(100)74(69)87(54)200(24)264(6)
74(100)87(83)143(24)199(10)255(4)298(2)
Compound
Phuiol, 2-Chloro-
Phraol
Phenol, 4,4'.M*thyUMkl«-
Hepcad«c«i»lc Acid, UJtothfl-, K.thyl
E«c«r
tl.
493
473
453
490
368
TABLE A-153. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 56E
oc
r*+
No.
i
2
3
4
5
6
Indn
882
916
991
1059
1100
1291
AnouM.
nl\
**•*
**
**
**
*•
TuitMiM
UuMKaOan
MlKCuri 7
Mixture ? Mi 121
IioMr of n
HexaaechyleiMCctrflaliM
UexuMChyl«MC«tr«Blaa
HoBllog 12
ChmcttrMc lorn In MM SpMtaim
82(100)55(68)68(47)83(42)96(11)110(4)
61(100)91(55)41(28)89(20)121(4)
61(100)91(27)44(13)60(10)121(2)
42(100)140(75)85(22)112(12)141(6)
42(100)140(75)85(22)112(12)
61(100)91(34)89(31)119(4)121(4)149(1)
Most RMMMbto MMMnn Mitdl
Compound
HexaiuidlnltrlU, 2-Htthjl
ll.~
402
-------
TABLE A-154. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 57VE
ho
M
N>
GC
Pnfc
No.
1
2
3
4
5
6
7
8
9
10
11
12
11
H
,
Relative
Retentioi
TlM
.12
.13
.16
.22
.22
.29
.53
.80
1.00
1.14
1.15
1.26
1.27
1.30
Amount,
MO/I
—
1-10
•vlOO
•v30
•v.10
»100
1-10
•\JOO
-(8)
•\30
1-10
20-30
100-200
80-100
Tmtativt
Ww.tifk.tion
Air
Unknown
Trlaethyl Sllonol
Chloroform
Dllsoporpyl ether
Benzene
Toluene
Chlorobenzene
I.S.
Chloro toluene
Chlorotoluene
Dichlorobenzene
Dlchlorobenzene
Characteristic lorn in Man Spwtnim
44(100)
60(100)44(5)45(3)
75(100)45(99)
83(100)85(67)
45(100)43(42)87(15)59(12)
78(100)
91(100)92(55)
112(100)77(85)114(35)
75(100)77(33)
91(100)126(28)128(10)
91(100)126(21)128(7)
146(100)75(77)111(67)148(65)
146(100)148(67)111(55)75(52)
146(100)148(67)111(60)75(52)
TABLE A-155. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 57E
GC
rwt
No.
1
2
3
4
3
6
nj Million
MH
902
1007
1074
10)5
1172
1112
Amount.
(*1
***
«*«*
**
**
**
**
Tonlilivt
HothrlplKool
Chloropbnol » Fhonol
Beaiolc Acid
Oilorovthylpluool
BroBOactbylpheno I
nMoxyttttiaiiol
Chmcmtilk km in Mw Spoctram
108(100)78(84)65(90)93(20)51(18)109(10)
66(100)94(95)65(92)55(24)50(19)128(8)130(2)
105(100)77(98)136(78)51(46)50(21)
142(100)99(88) 127(56) 144(32) 101(29) 129(19)
186(100) 188(96) 143(65)145(63) 171 (41)173(40)63(34)77 (18)
M£JOO)13><30) 77(30)66(20)36(11)139(2)
Mo« RMKmbto BMminn ttotch
Compound
Benceoe, HAthoKy-
Ph«ool
Benzole Acid, M«thyl Eit«r
BCDZCIM, l-Chloro-4-Hethoxy
BcnxciM, l.Bro«o-2-Hithoxy
EthAnal, 2->rtenox7-
il
>1(>3
536
432
341
626
637
623
-------
TABLE A-156. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 58VE
Ni
GC
P*ek
No.
1
2
3
4
5
6
7
8
9
10
Relative
Retention
TlK
.12
.13
.16
.17
.23
.27
.53
.55
.56
1.00
Amount.
jig/1
~
•vlO
100-200
100-200
1-10
1.1
1-10
1-10 ea
<1
-(13)
T0f)t8tiw
Umtificrion
Air
Propene (T)
Acetone
Isopropyl alcohol
Chlorofoni
1,1. 1-Trlchlo roe thane
Unknown
Toluene + Unknown
Chloropropene
I.S.
CharacKristic lorn hi Mm Sptctrum
44(100)
41(100)39(80)42(70)40(28)
43(100)58(100) (Sat'd)
45(100)41(22)43(20)
83(100)85(65)
97(100)6(75)99(65)117,119(12)
59(100)43(77)77(22)103(15)
39(100)63(75)91(40)41(33)65(27)92(23)
76(100)41(35)78(30)
75(100)77(33)
-------
TABLE A-157. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 58E
S3
FMk
No.
1
2
3
4
5
6
7
a
9
10
tl
12
13
kMta
1116
1214
1452
1660
1780
1971
2025
2031
2039
2121
2320
2713
2913
Amount.
nil
**
**
MMtiflatkm
teiuraraethanol, Mthoxy-acetate
Mixture + AlkylbAOMM
Chloro-hydrocarbon
7
T
I.o«.r at t 9
Chloro -hydrocarbon
7
7
C > 24 Alk*M
7
7
Omenrink torn hi Itai SpKtnim
78(100)106(70)136(51)51(40)
120(100)91(93)92(78)77(20)180(18)149(13)65(13)
91(98)147(96)119(94)55(78)57(76)162(46)192(24)
41(100)55(32)57(32)91(25)69(19)71(18)105(8)
177(100)91(35)108(33)77(26)57(21)192(11)222(11)
134(100)57(72)79(68)107(66)167(25)166(25)234(6)
79(100)137(100)138(96)107(81)139(54)179(15)193(8)
41(100)79(33)137(26)138(26)107(24)43(20)69(17)193(1)
83(100)55(49)134(36)79(31)166(18)232(4)204(2)205(1)233(1)
156(100)58(98)212(25)84(17)98(8)213(4)
41(100)57(34)71(22)95(16)99(5)
58(100)84(16)212(29)240(7)241(5)
58(100)43(45)64(14)70(8)268(38)212(43)
Compound
Benzeimtthanol ,U-«etho>jr-actut«
Hftptftdccane , 9-octyl
ll.
404
619
-------
TABLE A-158. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 58E
ISJ
M
Oi
oc
•ant
No.
1
2
3
4
5
6
7
»
9
10
11
12
13
U
15
16
17
16
19
20
21
22
23
2*
2}
26
nuiiittpii
902
990
10U
1073
1092
1112
1170
UN
1220
1232
1243
1273
1212
1301
13 J»
1357
1434
1499
1794
1825
1836
UM
197*
2048
2113
2113
*.Dim.
1**
*•«
***
**
*
**
*
**
**
*
*
**
*
*
*
•
*
*
*
*
***
«
**
***
***
*
*
TMMM
IJanlinraaion
Hetbexybenene
Chloropbenol «• Phraol
ltetl.rlpfc.tiol « IroKptmol
tomolc tcld
MtbnjdilacotenMiH
C > 7 ncty «cld
DiaMkylflMKl * Ci-PhenoI
N*thrlbnK>pkaal « DtchloromtbaiTl-
bm«M
IratM. I (MtkoirMtboir)>«cl<7ll
c 2 » r«ty Acid
Dlcklarophaul (mthjUted)
•7drazjBtthrlb*ra>le Acid
C4^UrlplMaol
C > 10 ratty Acid • Trtchloraphnol
InKpbnol * 7
CblorecUrlfhnel » ?
Chlorofctxia>^iib«t..nmal
DiMtbaxTbuEaldtiijrd*
m>«M, l-ttethoxj-2-(O<»UK>iTi>l»iiyl)
MChrll
T
C 2 16 r«C7 Acid
laaoLot or ITCMC of *20 I
T
ftwnol. 2.((44Tdra[]riih«B7l)Mtli7l).
C > 18 Fatty Acid
IMMT of »2*
OMntmiilk torn In Mm »«tm«r»
10e(100)6S(77)78(72>77(24)51
12«<100)61(5«)6*O2)1M<32)»(16)100(8)
108(100)107<87)77(42)79(41)>0<23)51144(32)129(1«)
74 ( 100) 87 (52) 115 (10) 127 ( 10) 135(3) 13« (3)
107(100) 122 (84)121(52)91(37)77(33)150(4)
161(100)133(96)176(90)163(64)135(64)178(56)186(58)188(56)
91(100)120(76)92(33)152(32)77(19)121(16)65(12)153(3)
74(100)87(60)143(11)
161(100)176(87)133(84)163(63)178(58)222(19)220(14)224(5)
106(100)134(95)166(48)77(41)78(31)105(37)135(36)211(3)
135(100)107(43)150(16)95(12)91(10)77(9)131(10)
Mlud Sp«ctn»
172(100)174(98)107(70)65(53)77(43)150(39)93(23)
91(100)120(50)163(40)207(9)222(9)205(6)220(6)
241(100)256(83)239(67)213(59)164(57)243(50)255(53)258(40)
166(100)165(60)95(44)151(15)167(10)
228(100)91(98)107(97)197(76)181(64)152(57)229(15)
108(100)214(70)181(43)107(36)152(35)153(25)215(10)
74(100)87(U)143(23)227(6)Z70(2>228(2)
108(100)121(24)152(22)214(56)197(17)228(8)
214(100)108(84)183(63)121(53)77(32)213(45)215(14)
200(100)94(99)107(97)77(54)152(40)181(37)199(26)201(18)
74(100)87(88)143(20)298(2)
107(100)200(75)199(43)
Compound
Benzene Nethoiy
Phenol, 2-chloco-
rhenol. 2-ltothyl-
Beniolc Acid. Hethyl Eater
Benzene. l-Chloto-4-Hethoxy*
Hezanolc Acid. 3-Methyl-, Methyl Eater
Benene, l^tetboiy-2-Metnyl.
Benzene. DlchloneKtboxy*
Benzole Acid, 2-Bydraxy^Jlethyl. Methyl
Eater
Phenol. 4-O.1-D1— thTl Ethyl).
Benzaldehyde, 3,4J>laithozy
Benzene, 1 Jtethoiy J-[ ( 4-H»thoryplieayl>
•ethyl 1
H«K*4«ceoDlc Acid. Hetliyl Eltec
Phenol. 2.[(4Jlydraryphenyl)Hethyll-
Phenol. 2[(4^ydroxyphenyl»fcthTl].
S.I.
551
324
629
333
584
327
465
399
534
685
553
384
483
548
537
-------
TABLE A-158. (Continued)
to
ft*
•to.
2*
2>
30
nnuatM
UM
2764
rm
*MMM.
nit
**
TMMh*
ktaKHkaboi.
Cnhotylle Acid M.S.
IMMI of «7
t
iMMt Of »29
CtaneMrinfe lom in MM SpwtnMi
239(100)240(21)197(18)299(12)314(6)355(3)
237(100)231(20)312 (10)297 (8)313(2)
121(100)107(18)91(24)227(25)228(13)334(22)335(6)
107(100)213(41)91(34)121(23)226(10)334(18)335(5)
- MOM flMOTbh Hmnn MM*
l-Phcnutthrm Orboiyllc Acid, 1,2,3.4.
4A,9,10,10A-Oct«liyl»eth7l-7-
(1-MMhjrl Ithjl) -Methyl bur
srr
556
TABLE A-159. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 59VE
Tl
Pnk
No.
1
2
3
4
S
6
7
8
9
10
11
12
Relative
Retentloi
TlM
.12
.15
.15
.16
.19
.22
.26
.28
.35
.45
.54
.97
Ainount*
«9/l
—
10-100
tl
1-10
1-10
•v.1
1-10
<1
10-100
<1
10-100
-(8)
T«nutiv«
KMntificction
Air
Ac* tone
Dlethyl ether
Dlchloroaethane
Dichloroethane
Chlorofora
1.1, 1-Trlchloroethane
Benzene
Trlchloroethylene
C7H,4 Alkeoe
Toluene
I.S.
Characteristic lorn in MM Spectrum
44(100)
43(100)58(25)
45(100)59(98)74(51)
49(100)84(37)
63(100)65(30)83(15)98(6)100(4)
49(100)83(55)85(42)130(31)128(27)132(10)
97(100)61(72)99(67)117,119(10)
78(100)
95(100)132(70)128(68)97(61)
55(100)83(80)41(60)42(40)69,98(25)
91(100)92(60)
75(100)77(33)
-------
TABLE A-160. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 60VI
GC
No.
1
2
3
4
5
6
7
(
9
10
11
12
13
It
15
16
17
18
19
20
21
22
21
26
25
26
27
28
29
10
Mil Civ
Retentl
lime
.12
.15
.16
.11
.20
.23
.24
.26
.19
.37
.it
.58
.68
.80
.16
.81
.91
.98
.99
1.00
1.08
1.13
1.14
1.16
1.18
1. 19
1.20
1.22
1.26
1.27
Amount.
KfA
-
70-10
ilOO
1-10
80-100
80-100
200-300
1-10
90-100
100-130
50-60
1-10
50-70
6O-80
1-10
1-10
10-20
10-20
1-10
-(8)
1-10
10-20
•JO
1-10
10-20
•UO
1-10
1-10
10-20
1-ln
TMMbl
UMtlflCMtNM
Air
Furtn
DlchloroBcchane
Dlchloroethylene
Dlchloroechylcn«
Chlorofor*
Tetrahydrofuran
1 . 1 . 1-Trlehoroethane
Benzene
TrlchloroethyleiM
Toluene
Dibroaochloroae thane
Tetnchloroethene
Chlorobcncene
•-ChlombenzocrlflDorldc
Cj Alkrl benune
C2 Alkrl benieiw
O-iylme
1 , 1 , 2 , 2-Tet rachloroechane
I.S.
C} Alkjrl benuoc
C} Alkyl bcnunc
C, Alkjrl benieiw + 7
C, Alkjrl benzene
Cn Alkyl benzene
C1 Alkyl bnxene
C1 Alkyl benzene
C1 Alkyl brnr.rne
C.. Alkyl benzene
tMrliliirobt-n/cnf
CtancMrinic tom in MM SpMram
44(100)
38(100)68(93)43(25)58(5)
49(100)84(85)51(67)
61(100)96(92)98(62)100(12)
61(100)96(88)98(52)63(44)
83(100)85(90)47(52)
42(100)72(32)71(31)
97(100)61(65)97(62)117.119(10)
78(100)
95(100)130(78)138(73)97(61)
91(100)92(60)
129(100)127(80)79.81(29)
166(100)129(93)131(88)164(80)94(58)47(48)
112(100)77(75)
180(100)145(82)75(70)161(68)50(62)
91(100)106(30)
91(100)106(42)
91(100)106(45)
83(100)85(67)60.61.95(15)131.133(5)166.168(2)
75(100)77(33)
105(100)120(26)
91(100)120(30)
91(100)121(28)63(16)120(12)123(11)
91(100)120(20)
105(100)120(30)
05UOO)120(2S)
05(100)120(40)
05(100)120)30)
05(100)120(40) + siull dlrhlorobenzene " 1 ppb
'iftf IOO)l'«fl(6S) ! 1I(5O)75(4R) |
-------
TABLE A-161. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 60VE
to
M
00
GC
Auk
No.
1
2
3
4
5
6
7
8
9
10
11
12
1]
It
U
16
17
18
19
20
21
22
23
24
25
26
27
28
29
Ifelatlvi
tetentiot
Tl»e
0.03
0.04
0.09
0.10
0.11
0.13
0.15
0.17
o.ia
0.22
0.2}
0.29
0.47
0.62
0.76
0.85
0.89
0.97
1. 00
1.09
1.16
1.18
1.21
1.22
1.24
1.26
l.X
-
-
AHUM.
«rt
500-100C
40-50
1-10
10-20
60-70
10-20
1-10
10-20
1-10
1-10
X-40
•v.1
90-100
70-80
10-20
vl
1-10
1-10
-
-------
TABLE A-162. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 601
S3
M
VO
oc
Peek
No.
1
2
3
4
5
6
7
8
»
10
11
12
13
14
15
It
17
It
19
20
21
22
23
24
25
26
27
28
29
30
S34
(49
854
(73
(70
U3
888
910
930
935
944
960
976
9(5
1000
1007
1022
1068
1099
1110
1126
1146
1151
1178
1200
1228
1453
1554
1989
2000
Amount.
Pt/l
*
**
**
*
**
**
*
*
**
**
**
**
**
**
**
**
**
**
**
**
**
**
**
**
**
**
**
**
"
**
Tetrecttloroethene
ChlorobctucM
?
EthylbcmciM
Cthylbenzcm
Tccnehloroc thane
Dutoxycchmol
C3- Alkylb*nun<
Chloraethylbenxrae
Chloroacthvlbcntane -f C^-AlkylbcnzfttM
Cj- AUrltxnuot
C.*Alkylb«ni«n«
C3-Alkrlb«nj«n«
1 ,3-DlchlorobcnHntt
Decan*
1 ,4- Dlchlorobcnnn*
DlchlorocyclohcxaiM + C^-AlkylbmzwM
C4 Alkjlb«il»«n« , J
UwhcaiM -f 7
(roaocblorocyclohexaiu
C > 11 Alkan*
1 , 2 . * -Tr Ichloroteni cne
mphttaUiut
C > 11 Alluiw
Dodecan« + ?
C^-Alkylbrooobenzene
?
C _ 13Alk*ne . ?
C ^ 19 Alkane » ?
KIcus.Tm- . '
O»«.»klk lorn «i Mtm Tp^ttun.
129(100) 131(9;>166(92>164(75)16((44) 170(10)
112(100)113(91)114(77)77(97)51(97)
57(99)83(98)69(81)84(77) 97 (25)1(0(5) 1(2(1)
91 (100) 106 ((2)92 (75) 77 (35) 51 (40)
92(100)91(95)106(86)105(39)51(40)77(37)55(25)6:(24)
83 (100)86(98) 131(22) 133(20) 168(11) 16*(9) 170(5)
57(100)45(67)41(53)87(20)75(10)100(2)
105 (100) 77 (25)51 (23) 120(19)
91(100)92(60)126(47)89(36)63(33)128(14)
91(100)92(68)65(29)120(19)51(15)
105 (100) 120(51) 77 (43)79(35)91 (30)51 (25)65(20)
105(100)120(25)57(27)77(16)74(14)91(14)
105(100)120(72)106(66)77(37)91(27)79(26)51(26)121(7)
75(100) 111(99)148(98) 146(97)50(75)113(31)150(15)
57(100)71(49)(5(26)99(S)9((4)142(2)
148(100)146(95)111(98)75(98)50(65)113(23)150(16)
80(100)(1 (99)82(91) 77(98) 105(96)51(61)120(15)152(1)154(0.6)
58(100)82(97)81(83)99(76) 132(7) 134(7)1(0(1. 6) 17»(1. 5)
57(100)71(96)65(50)156(3)
(2(100)(1(99)79(43)53(3I)117(16)119(6)
57 (100)43(59)71(50)85(16)117(14) 133(7)1(4(0.3)186 (0.3)
1(0(100)74(71)109(52) 145(45) 147 (28)111(17)1(2(92)1(4(29)
128(100)51(29)64(19)63(18)119(15)102(14)127(14) 129(11)
57(100)71(53)85(27)120(4) 140(2)141 (1.7)
58(100)71(97)85(56)98(8)99(7)170(0.7)
119(100)198(20)200(20)91(40)77(20)
57(100)55(31)165(19)137(12)180(8)179(3)
74(100)56(97)85(95) 100(54)145(4)143(2)147(2)175(1)
60(100)73(98)57(86)55(80)129(23)256(0.5)
/, \t n, >i.nr.i.»s7(/.ii'sT. riO>7i(r'Uo?(0.fi>
Compound
ftensme , tvcrachloro
8*n*en« , 1 , 2-dlMthyl
8eo« . 1 ,2 -dlmtliyl
Ech«nol(2-bucoxy
Beucne.l-Mtliyl ethyl
Benzene (chloronethyl)
Beoxene (chloroacthyl)
Bemene , 1 -ethyl -2 -aethyl
Beniened-nethyl ethyl)
8eo>ene(1.2,4-CTljKthyl)
Bentene(1.4-
-------
TABLE A-162. (Continued)
N*
No.
31
31
3i
M
35
X
MMiM
MK
2035
2050
ton •
2099
2125
2150
MMM.
•VI
**
**
**
Mr
**
**
TmtMtai
kfcmiticaion
PyrciM + 7
T
Alkrl-«lcohol or Alk«u
Httnaleocan*
I
C> 21 alkut + f
Om «.l«iM«. torn to Mm tp.cn um
202(100) 101(53)57(39)M(32)71(27)200(22)203(16)201(U)
72(100) ;*<«3)55(61)56(60)85(60) 100(33)43(5)145(4)
57(100)70(66)83(70)97(53)111(23)125(8)208(3)
71(100)85(74)57(70)99(21)113(9)127(4)218(2)
58(100)184(47)43(45)44(41)71(13)84(10)185(7)
60(100)73(%)55(82)57(77) 83 (50) 129(36)97 (30)185(8)284(1)
Compound
Uade«n«,2-Mth7l
'll.
438
to
to
o
-------
TABLE A-163. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 60E
PMk
Na.
1
2
3
4
5
6
7
8
9
10
11
12
13
1*
15
16
17
IS
l»
20
21
22
23
2*
MK
«35
150
8*1
879
883
«10
931
936
MS
953
9*0
. 974
982
1092
1116
1146
1171
1274
12*7
1339
136!
1911
2514
2725
Amount.
«•*
*
*
*
**
**
**
TMMiOT
MmfflcMiai
TctrMhlorocthene
ChlorobMzen*
EthrllOTU.n.
Xrla*
2->atc>irr«thMH>l
DUijtiaffOtjlturfame
Dlhrdron.phth.len.
D1117dron.phth.Uti.
C3-Alkrlben« * 1
Cj-AlkjTlbcaun*
Cj-»lk;lb«nr«l«
Cj-AltTlbcnirae
ChloroMthylbtnzne
Dlchlor«th;lb«nle 1 ?
Dichlor«Mthylb«iuene + ?
1.2,4-Trlchlorobcnimc + ?
TrlchlorobnuciM
Hethylbcmathluo le
TrlchlorovtthjrlbttitfeiM
Tatraehlorobenxmc
Diphenyl cthtr
Sctautc plutlclzer
Slllcone
Silicon*
ChlracMrink lorn in MM itwtnini
131(100)129(99) 16S(M)lM(t«)9«(g5)»«(54)168f39)
112(100)114(36)77(94)
91(100)106(96)36(61)105(46)77(40)
91(100) 106 (39)51(32)77 (27)65(18)
57(100)87(22)99(9)114(2)
56 (100)S5(49)43(47) 100(4)
126(100)77(96)105(19)106(14)
93(100)92(93)126(83)125(61)128(45)127(56)
106(100)99(97)120(77)
105(100)120(61)91(26)77(31)51(20)
105(100)120(36)77(25)79(22)91(20)51(14)65(12)63(8)
120(100)107(100) 106(90105(96)77(77)91(54)89(54)51(51)65(32)63
91(100)45(67)126(16)99(8)129(6)
89(100)126(98)63(98)57(84)160(90) 162(56)164(8)
107(100)106 (99) 136 (99) 125 (81) 127(22) 160(18) 162 (12)
182(100)180(100)184(48)74(97)85(88)109(77)145(72)147(44)
180(100)182(92)184(28)74(72)109(58)145(55)
149(100)108(52)69(40)
159(100)61(67)161(63)123(46)194(24)196(22)163(10)
216(100)214(80)74(80)108(79)218(48)220(10)
170(100)77(90)51(85)141(75)171(12)
163(100)135(98)108(58)69(40)162(43)220(34)95(33)175(16)189(11)
162(100)163(34)164(15)
108(100)300(57)242(44) 122 (47) 166(23)
Compound
Eth.M.t.tr.chloro
tencent.chlero
Imccnt, 1 ,2-dlatthrl
8tmenc,l,2-dl»etl>7l
B«n*eM, 1 -«t]iyl -3.««th7l
Bmicene, 1 -ethyl -2 -aattiyl
4) B*nzene,l-«tli7l-2,4-41>ith;l
Benceiw, l-chloro-3-«*th7l
B«ncen«(l-chloro-3-«hloro««th7l
Bcn*eiw(lt2,3-trlchloro
Bmm.,1.2,3-trlchloni
Bcnxothu o le f 2 ~mt thy 1
B«utne,2,4-dlchloto-l-chloro mfthjl
B«nc«M,ll2l4»5-tctrachloro
Bmcnc . 1 , 1 ' -oiybl.
S.I.
624
602
360
388
363
349
412
619
341
412
480
-------
TABLE A-164. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 60E
ro
to
Peek
I
2
3
4
5
6
7
«
9
10
11
12
13
14
15
U
17
18
19
20
21
22
23
24
25
26
27
2»
29
30
manlittn
Index
HO
199
912
975
1013
1031
1031
1043
1040
1069
1090
1169
1185
1190
1204
1210
1224
1300
1333
1371
1391
1419
1509
1523
1551
1692
1708
1884
1983
2080
»•»
*
*
"*
**
**
*
*
*
Tentative
C > 6 Fptty Acid
C > 6 F.tty Acid
Phenol
C > 7 Fatty Acid
diloroaethylphenol » ?
Methylphenol t 19
Benzole Acid
C > 7 Fatty Acid » ?
Dlehlorophenol (Methylated)
C > 8 Fatty Acid
Chlorobenzolc Acid
Dlchlorophenol (awthylatad) * T
Trlchlorophenol (Methylated)
Methoiy-l,2-B«iul>othiaiola
Chlorophenoxyethanol
Dlchlorobenzolc Acid
DlMethylethyl-Benzodloxolone
Dodecanolc Acid
Hethoxy -1 , 2 -beiu Hothl.ro le
Methylthlobenzthlatole
Subac.-B«nzleothlazole
Tetradecanoic Acid
C > 15 Fatty Acid + ?
C ^ 17 Fatty Acid
CnancMrinic loo. In Maei Spectiuni
74(100)87(37)85(34)57(34)59(28)41(22)43(20)
108(100)65(70)78(64)51(16)63(15)93(17)109(8)
74(100)87(41)43(42)59(30)99(22)101(10)108(2)
128(100)130(74)65(80)64(58)66(34)92(38)100(18)73(17)
94(100)66(83)65(40)55(11)50(10)95(11)
87(100)102(65)57(27)41(26)115(15)130(12)129(11)
107(100)108(48)77(48)79(32)51(20)142(30)144(10)
108(100)107(93)77(49)79(49)90(23)51(20)172(20)174(20)
105(100)77(96)51(34)136(30)
142(100)99(83)127(55)107(47)144(32)77(30)63(26)129(18)
74(100)87(52)55(26)59(21)127(14)129(6)
161(100)133(94)176(90)163(64)135(60)178(56)180(9)
135(100)108(34)69(21)82(12)136(8)
74(100)87(55)143(10)
139(100)111(41)75(27)50(12)113(14)141(32)170(27)172(9)
128(100)130(32)65(42)100(22)141(7)143(6)176(11)178(7)
161(100)176(86)133(85)163(64)135(54)178(52)
195(100)197(95)199(30)167(67)169(64)210(52)212(48)214(15)
1(5(100)136(69)150(64)106(40)122(32)164(46)166(11)
128(100)130(34)172(18)174(6)
173(100)175(66)145(26)147(18)204(18)206(12)
177(100)149(28)91(18)178(12)192(11)
74(100)87(74)55(29)143(14)183(5)185(3)214(2)
136(100)69(14)122(12)96(8)95(7)137(10)165(65)66(6)
181(100)148(77)108(36)69(18)136(20)135(16)180(26)182(12)
151(100)123(75)96(35)195(20) Weak Spectra
74(100)87(75)55(31)143(20)199(10)211(3)213(1)
74(56)87(38)
135(100)136(40)169(11)108*25)90(15)
55( 100)41 (92)69(60)74(57)87(40)
Compound
Butanolc Acid, 3.Methyl-, Methyl Eiter
Benzene, Hethoxy.
Pentanolc *cld, 3-Methyl-, Methyl Eater
Phenol
Heptanolc Acid, 2-Ithyl-, Methyl Eiter
Phenol. 2-Jfcthyl-
Beuene, l-Chloro-4-Metho>y-
Reunolc Acid, 5-Hethyl., Methyl Eltar
Benzene, DlchloroMthoxy-
Thieno[3,2.C] Pyridlne
Benaolc Acid, 3-Chloro. Hethyl Eater
Benzene, Dlchloroaethoiiy.
Bancene, 1 ,2 ,4.Trlchloro>5-Methoxy-
1,2-Benzlaothiacole, 3-Methoxy-
Ethanol, 2-(4-Chloropheoo«y)-
Benzoic Acid, 3.4-Dlchloro-
l,3-Benzoldlo>ol-2-one, 5.(l,l-Dla
-------
TABLE A-164. (Continued)
oc
FMk
No.
31
bdK
2110
Amount.
«/l
.
TOTttth*
IdentifKWon
Oct«dec«nolc Acid
74(100)87(76)43(45)55(34)143(24)199(10)
Compound
Henelcoianolc Acid. Methyl Ester
S.I.
.103
658
to
CO
TABLE A-165. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 60E
GC
PMt
No.
1
2
}
4
5
6
7
MB
952
1044
10IS
1117
1143
1169
11M
Amount
Of/I
„
•**
**
**
»
*
*
TMttttM
UmtHldtion
Hethrlpyrldlna
HethrUnlllne
? Ml 126
DUcthjrlullllM
Cj-AUjrlpjrrldliM
C3-JUk,lpTrldla.
C3-Alk;lpjrrldine
CtancMtMk lorn in MM SpocBum
93(100)66(33)65(17)92(12)94(7)
106(100) 107(72)77(17)79(13)»9(7)5l(7)
41(100)40(90) 126(10)43(77)67(52)66(49)86(28)125(10) 127(6)
121(100)120(67)106(95)77(22)91(16)103(10)
121(100)120(92)106(92)77(21)91(16)
121(100)106(92)120(75)77(21)91(16)6S(»
106(100)121(91)120(52)77(20)91(15)103(12)65(10)
Compound
rrrldlne, 3 -Methyl
tvafomtlae 4-Hethyl
4(lH)-Pyrl»ldlnon« 2,6-Dl«olno
Pyrldlne, 3-Ethyl-5-Hethyl
Prridlne, 3-IthTl-5-tfethjl
Pyrldlne. 3-Ethrl-4-««th)rl
.103
515
(93
438
359
423
-------
TABLE A-166. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 61VI
NJ
hO
Pnk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
telatlvr
tet«otion
Time
.11
.13
.15
.16
.16
.17
.25
.26
.28
.34
.36
.55
1.00
Amount.
Mi/I
< 1
1-10
1-10
1-10
< 1
< 1
< 1
< 1
< 1
< 1
1-10
-(8)
Tmtatm
Identification
Air
Kutene
Acetone
Diethylether
Dlchloronethane
Carbon dlsulflde
Tetrahydrofuran
It 1 tl-Trlchloroethane
Benzene
Dlchloropropane
Trlchloroethylene
Toluene
I.S.
Chacacteftttic Ions in Man Spectrum
44(100)
41(100)39(50)56(40)
43(100)58(22)
45(100)59(97)74(47)
49(100)84(35)51(33)
76(100)44(12)78(8)
42(100)41(90)55(55) 30(52) 71(28) 72(27)
97(100)61(66)99(67)119(18)117(17)
78(100)
63(100)62(70)41(52)39(40)65(32)76(25)
95(100)132.99(67)130(62)60(53)
91(100)92(60)
75(100)77(33)
-------
TABLE A-167. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 61VE
N>
hO
GC
PMk
No.
1
2
3
*
5
6
7
8
9
10
11
12
_ 13
14
IS
16
17
Relative
Retentlo
time
.12
.15
.16
.16
.22
.24
.26
.28
.30
.34
.61
.80
1.00
1.09
1.12
1.15
1.18
Amount.
Pf/l
_^^
1-10
MO
1-10
<1
1-10
<1
<1
1-10
<1
<1
<1
-(8)
<1
<1
1-10
1-10
TMitaliM
ld«ntitic»tioii
Air
Acetone
Dlethyl ether
Dlchlorowechane
Chlorofon + l.S.
Tetrahydrofuran
1.1. 1-Trlchloroethane
Benzene
Cyclohexane
Dlchloropropane
Dlbrcmoethane
Chlorobenzene
l.S.
Unknown hydrocarbon
cinH7°
Unknown hydrocarbon
Unknown hydrocarbon
Chancttristfc km in Mw Spectrum
44(100)
43(100)58(28)
45(100)59(90)74(40)
49(100)84(50)
83(100)49(95)85(68)130(28)128(25)47(28)
42(100)41(55)71(27)72(26)
97(100)99(66)117(12)119(13)
Benzene
56(100)41(65)84(60)69(27)
63(100)62(71)41(50)39(37)65(31)76(25)
107(100)109(92)
112(100)77(97)114(30)
75(100)77(33)
109(100)95(90)67(43)81(40)123(12)
55(100)69(88)83(82)41(78)125(30)
109(100)81(94)67(40)41(38)95(22)123(18)
81(100)109(38)41(35)55(32)67(27)138(6)
-------
TABLE A
.-168. IDENTIFICATION OF COMPONENTS IN VOLATILE FBACTION OF SAMPLE NO. 62VI
to
ro
PMk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
U
15
fltontion
Indtx
.12
.15
.16
.16
.16
.22
.24
.26
.28
.33
.35
.54
.67
.79
1.00
Amount,
MB/1
—
1-10
Q?fs>
97(100)99(67)61(62)119(12)117(10)
78(100)
63(100)62(72)41(45)39(38)65(32)76(25)
95(100)132(67)97(63)130(60)
91(100)92(55)
129(100)131(95)166(92)164(80)
112(100)77(90)50,51(38)114(33)
75(100)77(33)
-------
TABLE A-169. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 62VE
GC
PMk
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
RfttMttlOfl
index
.10
.11
.12
.14
.15
.16
.19
.20
.22
.25
.26
.40
.51
.55
.69
1.00
Amount.
ft/I
20-40
40-60
60
30-40
•x.1
•v.10
1-10
100-1000
1-10
80-100
--
•\.10
•vl
1-10
-(8)
Tentative
Identification
Air
Vinyl Fluoride (T)
Ethyl Chloride
Dlethyl echer
Dichloronethane (?)
Chloropropane (T)
Hethoxy trlaethyl allane
Unknown
Unknown oxygen-containing compound
Dlchloroethane
1 , 1 , 1-Trlchloroethane
Slllcone
2-Ethyl_l,3_Dioxolane (T)
Toluene
1,1,2,2 -Tetrachloroethane
I.S.
Characteristic lorn in Mao Spectrum
44(100)
46(100)45(99)
64(100)49(82)66(70)
45,50, 74(100)(Sat'd)
49(100) no 84,86
42(100)41(27)59(8)63(5)78(2)
89(100)59(90)
45(100)43(80)41(30)57(20)87(15)133(2)
75(100)45(kOO)43(55)47(40)59(16)76(15)87(12)
62(100)49(42)64(32)98(8)
97(100)99(60)61(60)63(20)119(10)
147(100)73(25)
73(100)45(50)57(12)101(3)
91(100)92(55)
166 , 129 flOO) 131 (95) 164 (80)
75(100)77(33)
-------
TABLE A-170. IDENTIFICATION OF COMPONENTS IN ACIDIC FRACTION OF SAMPLE NO. 62E
N)
ro
00
QC
Peek
No.
4
5
1)
MM
US
913
19(3
AMOMM.
If"
*
*
«
Tmnne
UMHkMioii
c > 6 r«t, «id
Cerbltol
C > 6 Petty acl4
Nethylpneool
Ethane , 1 , 1 'Oxybll (2 -tthoxy)
Polypropylene Jlycol (ethyl ether
Polypropylene (Ijrcol Bethyl ether
C > 15 ratty ecu
Polypropylene glycol aethyl ether
Folypropyleoe tlycol Bethyl ether
Polypropylene glycol aethyl ether
Folypropylene glycol aethyl ether
Polypropylene (lycol Mthyl ether
Polypropylene J lycol nethyl ether
Ch»«.e»iilli. IOM In Me. Spectra
'5(100)87 (72)43 (67)59(36)84(14)99(7)
74(100)43(5?) 87 (34)59(27)99(17)101(8)
45(100)59(34)72(74)104(3)103(2)
87(100)102(66)57(42)115(12)130(9)129(1)
108(100)107(89)79(49)77(48)51(22)90(24)109(1)
57(100)59(40)75(24)117(21)85(18)131(5)
45(100)59(96)73(40)72(30)117(40)147(1)
59(100)41 (80)117(62)45(56)73(40)186(4)
59(100)45(94)117(70)73(48)147(2)148(1)161(1)
91(100)65(32)155(16)121(12)185(14)186(1)
59(100)117(86)41(72)73(40)131(2)147(1)
55(100)74(60)87(41)236(2)237(1)
39(100)45(81)117(88)73(32)87(27)103(12)131(4)
59(100)41(44)45(43)103(27)73(23)87(22)
45(100)41(43)89(40)87(25)133(10)73(25)
59 (100)45(64^41 (51)117 (98)129(4) 133(4) 131 (3)161(3)
117(100)59(83)45(43)73(32)129(6)133(6)16(5)175(1)
117(100)59(87)45(60)73(36)133(7)129(6)161(4)175(0.7)
Ethane, 1,1 '-Oxy lli(2-ttho«y).
Beptenolc ecld,2-Ithyl, Methyl E.t«r
Phenol, 2-Methyl-
•en>eoe«ulfoaeeade,II-4.Dl«thyl
10-lkxlecenolc tclj
•^••ei
41
630
450
583
TABLE A-171. IDENTIFICATION OF COMPONENTS IN BASIC FRACTION OF SAMPLE NO. 62E
Peek
No.
2
3
4
5
e
7
lfc»iliuil
MX
933
955
960
992
1087
1152
AMOM.
MA
*
ToMetfeo
Sllleonet HI 205
»-»utyUl-bute«tne
li-lutyl. N-M.thyl-1-fc.te^oe
Slllcoaet Mt 223
T
T
CkmcMKfe lo« ki MM Spocmm
149(100)133(89)150(15)134(12)75(11)115(7)67(4)
59(100)43(74)85(18)103(11)205(16)206(3)
44(100)86(96)41(21)57(18)129(13)
58(100)100(76)44(49)86(24)143(9)129(3)
207(100)208(21)191(11)223(14)133(15)75(8)
59(100)41(55)45(49)73(33)103(25)
97(100) l39((0)142(32)83(40)100(32>42(2t)lU(3)
Mo« ninui llill BlemeiMl Me«*
Compouml
l-Butenealne. H-Butyl-
1-Butenoertne, H-tutyl-a-Hethyl
ti.
689
582
-------
TABLE A-172. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 63VI
to
QC
Me
No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
Relative
letentloi
Tl«e
.12
.16
.16
.17
.22
.25
.27
.29
.34
.37
.41
.80
1.00
1.17
Amount.
mtl
—
1-10
1-10
1.10
1-10
<1
<1
<1
<1
<1
<1
<1
-<8)
<1
Tentative
Menttficanon
Air
Acetone
C,HtS. e.a. Dl«ethvl sulflde
Dlchloroae thane
Chlorofon
Tetrahydrofuran + 2 Chloro-2-butene
1 , I , 1 -Trlchloroe thane
Benzene
Dlchloropropane
Trlchloroe thylene
Hethylaethacrylate (T)
Chlorobenzene
I.S.
Ubknovn
CharKtarBtic lorn hi Man Spacmim
44(100)
43(100)58f30)
62aOO)47«3)4Sf55146f40)6in7)
49(100)84(35)
83(100)85(67)
42(100)41(96)55(75) 39(55) 72f 32>71(30)90(15)92f5)
97(100)99(67)61(50)119(15)117(14)
78(100)
63(100)62(68)41(52)39(40)76(18)
95(100)97,132(65)130(57)
41(100)69(60)39(40)99(15)100(14)
112(100)77(80)114(33)
75(100)77(33)
55(100)91(60)93(20)
TABLE A-173. IDENTIFICATION OF COMPONENTS IN VOLATILE FRACTION OF SAMPLE NO. 63VE
GC
PMk
No.
1
2
3
4
5
Index
.06
.10
.11
.45
1.00
Amount.
M9/I
1-10
>1000
1-10
(8)
* — •
iwimm
Mantification
Air
Acetone
Dlaethyl sulflde
DlMthyl dlsulflde
I.S.
Characttrntk Ions in Mass Spaetrum
44(100)
43(100)44(40)58(25)
45,46,47,61,62(100)
94(100)45(93)79(62)46(50)
75(100)77*33)
-------
TABLE A-174. IDENTIFICATION OF COMPONENTS IN NEUTRAL FRACTION OF SAMPLE NO. 63E
GC
FMk
No.
1
2
3
It
5
6
RMMition
Mu
1005
1509
1853
1917
2174
2138
Amount.
nfl
*
*
*
*
***
***
TwtJtivv
UMitiNcnkm
Chlorob*o>«ne
Methyl ,4-chloroph.nr 1 (ulfonc
B«nztnctl,l'-«ulfonylbli
Dlbutyl phthal«te
Benzene .1,1* -culfonylbl* [ 4-chlorol -
Benzene (lvl'^ulfonylbli[4^:hlo TO]
Ctancttriltie km in MM SpKtnim
112(100)77(82)51(30)114(32)50(27)
139(100)111(92)75(54)141(32)113(30)190(4)192(1)
125 (100)77(49)51(44)97 (20)218(5)
149(100)41(12)150(8)205(1)223(1)
159(100)75(74)111(52)161(36)286(8)288(5)290(1)
75(100)159(99)111(90)50(64)161(65)286(16)288(11)290(2)
Compound
Benzene , 1 , 1 ' .•ulfonylbli .
1.2-BenzenAdlearbaxyllc ecld.kutyl-J-
..
ll.
452
417
620
338
335
-------
TECHNICAL REPORT DATA
(t'lease read Instructions on the reverse before completing)
EPA-600/4-79-016
3. RECIPIENT'S ACCESSION>NO.
Identification of Organic Compounds in Industrial
Effluent Discharges
5. REPORT DATE
February 1979 issuing date
6. PERFORMING ORGANIZATION CODE
D. L. Perry, C. C. Chuang, G. A. Jungclaus, and
J. S. Warner
8. PERFORMING ORGANIZATION REPORT NO
Battelle Columbus Laboratories
505 King Avenue
Columbus, OH 43201
DDRES
10. PROGRAM ELEMENT NO.
1BD713
11. CONTRACT/GRANT NO.
68-01-4350
12. SPONSORING AGENCY NAME AND ADDRESS
Environmental Research Laboratory—Athens, GA
Office of Research and Development
U.S. Environmental Protection Agency
Athens, GA 30605
13. TYPE OF REPORT AND PERIOD COVERED
Final, 9/76-10/78
14. SPONSORING AGENCY CODE
EPA/600/01
NOTES
Samples of 63 effluent and 22 intake waters were collected from a wide range
of chemical manufacturers in areas across the United States. The samples were
analyzed for organic compounds in an effort to identify previously unknown and
potentially hazardous organic pollutants. Each water sample was preconcentrated
for analysis of organic compounds in four fractions: volatile organics by helium-
gas stripping and semivolatile organics by extraction with methylene chloride
resulting in separate neutral, acidic and basic fractions. All sample analyses
involved a GC/MS/COMP system that used high-resolution glass capillary GC columns.
Organic constituents were identified using the computerized Biemann mass spectral
matching system together with some manual interpretation and quantified using
GC-FID peak area determinations.
Over 570 compounds were tentatively identified of which 33 are priority
pollutants. Generally, industrial effluents contained few priority pollutants.
Most of the components found in the effluents were specific for a particular
industrial site and did not appear in reoccurring patterns. The data suggest
that many possible environmentally important compounds would be overlooked if
frequency of occurrence is the major criterion for determining environmentally
significant compounds.
KEY WORDS AND DOCUMENT ANALYSIS
DESCRIPTORS
b.lDENTIFIERS/OPEN ENDED TERMS
COSATI Field/Group
Water pollution
Water analysis
Industrial water
Gas chromatography
Mass spectroscopy
Trace organic
GC/MS/COMP
Waste effluents
. DISTRIBUTION STATEMENT
RELEASE TO PUBLIC
19. SECURITY CLASS (This Report)
UNCLASSIFIED
07A
07B
07C
07D
68D
21. NO. OF PAGES
241
ITY CLASS (This page)
UNCLASSIFIED
22. PRICE
EPA Form 2220-1 (9-73)
231
U. S. GOVERNMENT PRINTING OFFICE: 1979 - 657-060/1613
------- |