PB85-204360
Master Analytical Scheme for Organic
Compounds in Water. Part 2
Appendices to Protocols
Research Triangle Inst.
Research Triangle Park, NC
Prepared for
Environmental Research Lab., Athens, GA
Jan 85
U.S. D9p3ftm@& el
Nations! T«cte?jcd tefenss&a S«rwce
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FB85-2CU360
EPA/600/4-84/OlOb
January 1985
MASTER ANALYTICAL SCHEME FOR
ORGANIC COMPOUNDS IN WATER
PART 2. APPENDICES TO PROTOCOLS
by
E. D. Pellizzari, L. S. Sheldon, J. T. Bursey, W. Hargrove,
L. C. Michael and R. A. Zweidinger
Analytical Sciences Division
Chemistry and Life Sciences Croup
Research Tri-mgle Institute
P. 0. Box 12194
Research Triangle Park, NC 27709
Contract No. 68-03-2704
Project Officer
A. U. Garrison
Analytical Chemistry Branch
Environmental Research Laboratory
U.S. Environmental Protection Agency
Athens, GA 30613
ENVIRONMENTAL RESEARCH LABORATORY
OFFICE OF KHSEARCH AND DEVELOPMENT
U.S. ENVIRONMENTAL PROTECTION AGENCY
ATHENS, CA 30613
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TECHNICAL REPORT DATA
(Please read / Wu(fg ns on the Fe& me be/ore completing)
I REPORT NO 2 3AECIPIENTS ACCESSIO NO
EPAI6 0 0/4_84/ O I Ob
4 TITLE AND SUBTITLE
Master An 1ytica1 Scheme for Organic Compounds
th Water: Part 2 Appendices to Protocols
B8 5 2 0 4 3 6 0 lAS
5 RFPORT DATE
January 1985
6 PERFORMING ORGANIZATION CODE
SThUTHOR IS) —
E.D. Pellizzari, L.S. Sheldon, J.T. Bursey,
L.C. Michael and R.A. Zweidinger
8 PERFORMING ORGANIZATION REPORT NO
9 P(RF , ORGANZATIQN NAME AND ADDRESS
Research Triangle Institute
P.O. Box 12194
Research Triangle Park NC 27709
*0 PROGRAM ELEMENT NO
ABWD1A
Ii CONTRACT/ RANTNO.
68—03—2704
12 SPONSORING AGENCY NAME AND ADDRESS
U.S. Environmental Protection Agency——Athens CA
Office of Research and Development
Euvironmental Research Laboratory
Athens CA 30613
13 TYPE OF REPORT AND PERIOD COVERED
Final, 9/78—7/83
I d SPONSORING AGENCY CODE
EPA/600/Ol
15 SUPPLEMENTARY NOTES
Part 1: Protocols, EPA/6QQ/4 84/O1Oa
*6 ABSTRACT
A Master Analytical Scheme (MAs) has been developed for the analysis of volatile
(gas chromatographable) organic compounds in water. In developing the MAS, it was
necessary to evaluate and modify existing analysis procedures and develop new tech-
niques to produce protocols that provide for the comprehensive qua itative—quantjtatjv
‘na1ysjs of almost all volatile organics in many types of water. The MAS provides for
analysis of purgeable and extractable, as well as neutral and ionic water soluble,
organics in surface and drinking waters and in leachates and various effluents. Nomi-
nal lower quantifiable limits range from 0.1 iig/L to 100 Lg/L, depending on chE.mical/
physical class of the analyte and complexity of the aqueous matrix. Recoveries are
reported for about 280 model compounds of a wide variety of chemical classes and
physical properties dosed into representative samples of several major types of water.
The appendices include specific instructions on fabrication of the purge and trap
apparatus and ancillary devices for purgeable organics, computerized relative molar
response and recovery data for standards and analytes, and documentation of the
MASQUANT computer program for quantification of HAS data.
17 KEY WORDS AND
a DESCRIPTORS
OC,CUMENT ANALYSIS
b IDENTIFIERS/OPEN ENDED TERMS
C COSATI Field/Group
IS DISTRIBUTIoN STATEMENT
RELEASE TO PUBLIC
19 SECURITY CLASS (ThisRep 0 r,j
21 NO OF PAGES
2 .3q
This page)
UNCLASS I FlED
22 PRICE
EPA Porm 2220 I (9-73)
1
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DISCLAIMER
The informatIon in this document has been funded wholly or in part
by the United States Environmental Protection A cncy under Contract No.
68—03—2704 to Resear ’h Triangle Institute. It ha been sub ect to the
Agency’s peer and administrative review, and it has been approved for
publication as an EPA document. Mention of trade names or cor nercial
products does not constitute endorsement or recommenda ,n for ise by
the U.S. Environmental Protection Agency.
ii
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FOREWOIW
Nearly every phase of environa enta1 protOction depends on a capability
to identify and measure specific centaminants in the envrion ent. As part of
this Laboratory’s rescaicti on the occurrence, movement, transformation, impact,
and control of envrironnental contaminants, the i’.nalyticjl Chemistry Branch
characterizes chemical Constituents of water and soil.
Chemists working in governmental, industrial, and academic laboratories
have long recognized a need for a comprehensive analytical methodology for
organi.c Compounds in water. To this cod, research was begun in 1978 to
develop a qualitatlve_quantjt j scheme for the analysis of organics of
all vo1atjJjt ’ classes (amenable to gas cnror atography), of almost all
functional groups, in almost an water sm ple. The result Is the laster
Analytical Scheme (MAs) for Organic Compounds In ‘ater, a compilation of
protocols that employ new techniques and modifications of existing analysis
procedures. Users may apply the MAS as a set of protocols for a conprchensjve
analysis or USC individual protocols separately for analysis of organic
fractions of particular interest. Ar ong its many applications are epidemlo—
logical studies, wasteload allocations, permit application evaluations, trends
analyses, watersned management studies, exposure assessments, landfill hazard
evaluations, and aqueous source characterizations
Rosemarie C. Russo, Ph.D.
Director
Environmental Research Laboratory
Athens, Georgia
iii
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PR EFACE
The Master Analytical Scheme (HAS) represents the first effort to
develop a comprehensive qualitative-quantitative scheme for the analysis of
organic compounds in water. The HAS is a set of analytical protocols that
includes a broad scope of organics with a wide variety of functional groups
and physical properties. These protocols provide for the CC/MS/computer
analysis of the usual purgeable and extractable compo nds, with th addition
of various nt utra and ionic water soluble compounds: in fact, the HAS is
applicable to any compound that can pass unchanged through a gas chromato—
graph, or an be derivatized to do so. Recoveries have been determined from
distilled and drinking water, industrial and municipal effluents, and, in
some cases, surface water and eneray effluents, so the protocols are expected
to be applicable to most water types. One unique feature of the MPIS is its
ccqnprchensiveress. Another is its qualitative-quantitative aspect: an
extensive data base of mass spectrometer detector response and recovery
factors allows computer estimation of concent.ation without recourse to
standards for each analyte.
In developing the HAS, existing analytical techniques were evaluated
and modified and new techniques were developed to produce the comprehensive
protocols. Development was in two stages. An interim set of protocols was
developed by October 1980; analysis of env1ronm nta]. samples by these protocols
revealed several important deficiencies that were subsequently corrected by
additional experimental work. The final result is this first edition of HAS
protocols in two parts; this volume, Part 2, contains the Appendices.
Two companion reports resulted from HAS development: Experimental
Development of the HAS for Organic Compounds in Water, and Literature Review
for Development of the MAS for Orgaiiic Compounds in Water. The user can
refer to the experimental development report for information on techniques
considered for MAS incorporation and experiments dealing with technique
optimization and recovery studies. The literature review, which covers
iv
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material through June 1982 on techniques for analysis of organics in water,
was the starting point for experimental development, and will also be of
interest to many users. Neither companion report is essential to HAS use,
howeveri this report (Part 1: Protocols and Part 2: Appendices to Protocols)
stands a .one as the handbook for implementation. Part 2 includes: Appendix
A — specific instructions on fabrication of the purge and trap apparatus and
ancillary evices for purgeable organics, Appendix B — hard copy of computerized
relative solar response and recovery data for standards and analytes, and
Appendix C - documentation of the HASQUANT computer program for quantification
of HAS data.
The prospective HAS user should first thoroughly faniliari e himself
with chapters 1 and 13 (the Introduction and GC—MS -COMP Analysis Procedures)
of Part 1 of this report for an overview and a guide to use of the protocols
and these appendices.
V
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ABSTRACT
A Master Analytical Scheme (HAS) has been been developed for the
analysis of volatile (gas chromatographable organic compounds in water.
In developing the HAS, it was necessary to evaluate and nodify existing
analysis procedures and develop new techniques to produce protocols that
provide for the comprehensive quantltiiive—qualitatjve analysis of almost
all volatile organics in manytypes of water. The HAS provides for an ly—
sis or purgeable and extractable, as well as neutral and ionic water
soluble, organics in surface and drinking waters and in leachates and
various effluents. Nomnal lower quantifiable limits range from 0.1 ig/L
to 100 ug/L, depending on chemical/physical class of the analyte and
complexity of the aqueous matrix. Recoveries are reported for about 280
model compounds of a wide variety of chemical classes and physical proper-
ties dosed into representative samples of several major types of water.
The appendices include specific instructions on fabrication of the purge
and trap apparatus and ancillary devices for purgeable organics, computer—
iz d relative nolar response and recovery data for standards and analytes,
and documentation of the NASQUANT computer program for quantification of ‘ lAS
data.
This report was submitted in fulfillment of Contract No. 68—03—2704
by Research Triangle Institute under the sponsorship of the U.S. Environ-
mental Protection Agency. This report covers the period from September
197S to July 1983, and work was completed as of July 1983.
vi
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CONTENTS
ppendi ces
A Fabrication of Purge and Trap Apparatus and Ancillary
Devices I
B RMR and Recovery Data File for Internal and External
Standards and Analytes in HASQUANT 24
C Description of Computer Program ?IASQUANT for Processing
Data Collected Using HAS 184
vii
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APPENDIX A
FABRICATION’ OF PURGE AND TRAP APPARATUS AND ANCILLARY DEVICES
1
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INTRODUCTION
This appendix describes the fabrication of a purge and trap device, an
injection port/cryofocussing module, and other ancillary devices for use with
the protocols for analysis of volatile organics, VO (ChapLnr 6), and neutral
water soluble low molecular weight compounds, NEWS (Chapter 7). Host of
the listed components are coiwnercially available and, where necessary, the
fabrication of devices can be easily performed by machine and glass blowing
shops. Materials and machine and glass blowing shop labor are estimated
to cost approximately $4,000.00.
FABRICATION OF INJECTION PORT
The features of this injection system include the capability
for; (1) introduction of VO compounds for the determination of mass
spectrometric re tive molar response factors; (2) introduction of system
performance mixtures; and (3) addition of an external standard (perfluor-.
otoluene) with each water sample analyzed for VO and NEWS compounds and
for RNR determinations.
Figure A-l shows the construction of the iujector body. An on-column
flash vaporizer packed column injector (Varian Hodel 1040) is drilled out
to 7.5 mm i.d. (A), to a depth of 15 mm. From there, the original 6.6 mm
(1/4”) i.d. is maintained, forming a lip at a 15 mm depth. Two 1.6 mm
(1/16”) o.d., 1.0 mm (0.040”) i.d. stainless steel tubes are brazed onto
the injector body: the carrier gas inlet (H) about 1 mm below the lip
(16 mm below the top) on the same side of the injector as the original
carrier gas inlet and the septum flush outlet (I) 10 mm below the top just
beneath the septum nut threads. The septum flush outlet is attached on
the Opposite side of tne injector body from the carrier inlet. A 1.6 mm
(1/16”) stainless steel zero dead volume tee (Q, Perkin Elmer No. 0091291)
is modified to make the splitter. To minimize dead volume betv een the
glass insert and the splitter outlet, the top of the tee is drilled out.
(0) to accommodate a piece of 6.4 mm (1/4”) i.d. stainless steel tubi
(H) 23 mm long (o.d. is not czitical), the tt e and tubing are brazed to-
gether. The bottom of the injector is cut off immediately below the
2
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H
(A) 7.5 mm i.d.; (B) l6mi ; (C) 10 mm; (D) 5 mm; (E) 6.35 nun o.d. glass
tube; (F) 2-3 nun; (G) 6.35 nun glass tube; (II) carrier gas inlet (1/16”
o.d. SS tubing . ,; (I) septum purge outlet (1/16” o.d. SS tubing connect-
ed to Hoke #1315G2B needle valve); (J) beveled needle guide into stain-
less steel insert with 1.6 mm i.d. hole; (Ki old injector body; (L) new
materials; (M) 6.4 mm (1/4”) i.d. SS tubing; (N) 13 mm; (0) 10 mm;
(P) 24 mm; (Q) zero dead volume SS Tee; (Rj 1.2 mm ..d.; (S) Ni capil-
lary tubing; (T) splitter outlet (1.6 nun fitting connected to HoLe
f#l315G2B needle valve).
Figure A-l. Diagram of injector body.
K
I L
3
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hexagonal block and the other end of the 6.4 i.d. tube connected such
that the op of the tee is about 13 below the injector body (N). Care
must be taken to ensure that these connections, both of which are brazed,
are properly aligned. We have found that using a lathe tc cut a concen-
tric lip into the bottom of the injettor body to accommodate the space
tube aids in the aligumeot process.
The stainless steel insert (J) for the top of the injector has an
i.d. of 1.6 um. The o.d., about 7.1 um, is matched with 1.5 i.d. of
the upper part of the injector body (A) such that the fit is close, but
not binding. The insert is about 14.5-15 long such that the septum
will be tightened down snugly over the top. A 1.6 (1/16”) hole is
drilled in one side at about 10 mm from the top (C), even with the septum
purge outlet (I). A groove is cut around the insert at the 1.6 mm outlet
hole. The top of the insert hole (of J) is beveled to act as a needle
guide.
Glass inserts are fabricated from standard b.35 = o.d. Pyrex tubing
about 1 cm in length such that there is a 2 gap between the top of the
glass and the bottom of the stainless steel septum purge insert.
The injector is installed in a heating block which also is fabricated
to accommodate the six-port sigh temperature Ve’co valve. The septum
purge outlet (I) is attached to a needle valve (Hoke 11315G2B) __.. then to
ve ’ t. The splitter outlet (T) is connected to another needle valve. A
shutoff valve (e.g., Whitey SS-OGS2) nay also be added for operation in
the “splitless” mode, and after the needle va1v on the septum purge for
shutoff of the purge.
Glass inserts for the injector are easily fabricated from standard
6.35 mm o.d. column tubing of 2-4 i.d., inserts are silanized with
dimethylchlorosilane. Replacement in the injectur requires appr ximate1y
30 sec.
FABRICATION OF }ff.ATING BLOCK AND CRYOTRAP
An aluminun heating sandwich is machined according to the s ecifica—
tions in Figure A-2.
4
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1
U i
sL c
SPLIT 5 OI
YII
.3 ” - —
Hsita
tsI U Pwl
THL U JPt( ADO S(NSQI tI
TOP VICE
Figure A-2. Spccificzition of heating block (sec Fig. A-4).
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A cryotrap is fabricated according to the dimensions given in
Figure A-3. An aluminum rod (1.9 cm 0.D. x 6.0 cm in length) is bored
(1.6 cm I.D.) to a depth of 1.5 inches to accept a 150 watt heating cart-
ridge (Table A-l). A helical groove (one-half th diameter of the Ni
capillary) is machined around the aluminum cylinder to accept a nickel
capillary trap with the dimensions shown in Figure A-3. Also, a groove is
made to provide for the return end of the trap (B, Fig. A-3). Two addi-
tional grooves are machined (the thicknesses of the thermocouples must be
measured for determining width and depth of the grooves; thermocouples
should fit snugly) for the coitroller and sensor thermocouples. An alumi-
num cup is machined according to the specifications given in Figure A—3
so that it fits snugly over the outsith of the capillary trap when it is
wrapped on the aluminum cylinder. The aluminum cup is 2 cm deep. The
thermocouples are inserted between the capillary trap and the aluminum
cylinder at the approximate positions shown in Figure A-3. A 1/16 in
Swage1ock union is fastened into the threaded hole of the aluminum cup to
provide for filling of the cup with liquid nitrogen during the cryofocus-
sing step.
The injection port system is assembled as shown in Figure A-4. The
1/16 in Ni. sample transfer line from the purge and trap system is attached
as indicated to the Valco® valve (Fig. A-4, A). All lines are connected
so that the flow pattern through the valve and cryot ap are as indicated
in Figure A-5 (for valve position A and B). (It. is extremely important
that the direction of gas flow through the cryotrap is the same oi valve
position A ar.d B.) Nickel tubing (1/16 in OD, 0.02 in ID) is used for
connecting the injector to the Valco® valve (A) and the valve to the
1/16 in zero dead volume Swagelock® union (Fig. A-4, B). The fused silica
capillary is passed through the commercial CC injection port and connected
flush to the constricted part of B using a graphite ferrule. The injection
port system must be secured (bolted) to the commercial CC system to provide
stability during usage. The entire assembly (Fig. A-4) is fastened flush
with the commercial CC inJec 1ofl port.
6
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THERMOCOUPLE
(Groove)
lIl6ui, SV1AGELOK
— wrapped with Ni tubing
4 5 cm
Figure A-3. Diagram of cryofocussing trap.
0.04 in id x 0062 in od x 36 in
Ni CAPILLARY
4
A
SENSOR
(Groove)
23
7
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MISCELLANEOUS
CONNECTORS
Table A-i. PARTS LISTINC FOR TEMPERATURE CONTROLLERS
Quantity Manufacturer Part Number Description
2
2
2
2
8
Ilolex
!loiex
Holex
Hol ex
Omega
receptacle
receptable
receptacle
receptacle
mated pair
03-09-1091,
03-09-1061,
03-09-1031,
03-09-1021,
NlIP-IRCO-tlF
plug 03-09-2091
plug 03—09-2061
plug 03-09—2031
plug O3-C —2O2l
9 circuit
6 circuit
3 circuit
2 circuit
miniature thermo-
couple Connectors
for type J
Molex
Holex
Molex
Omega
Omega
Cent raLab
Cinega
Littlefuse
Littlefuse
Buss
McGill
40
40
8
2
2
2
6
8
8
CONTROLLERS
HEATERS
6
1.
1
.093’ Pin terminals for above Molex connectors
02—09—1118 Female
09—09—2118 Female
MACL pnael adaptor clips
Model 7035-J-500 meter; O-26O C, I/C type J thermocouple
PA-2003 Rotary switch; 6 position non-shorting
28AWG Thermocouple wire for read out
3A1IP 3AG 312 Fuse
2AHP 3AG 312 Fuse
Type HTA fuse holders, panel mount
Toggle switch SPST No. 90-0003
6
Wattlow
Hotwatt
Hotwatt
Hotwatt
Series 100 Temperature controller with type J thermocouples
GR16-60
HS37l5
HS3 725
Single rope heater
Cartridge heater
Cartridge heater
250 watt, 60” long
150 watt, 1.5” long
200 watt, 2.5” long
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CC
Carrier Car
Sample Line from
Purge and
Trap System
Vent
Figure A-4. Diagram of heating block (D) with injector (C),
Valco valve (A), and cryofocussing trap CE).
Septum
Purge
C
Split
Cryo
Trap
-E
Capillary
9
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Sample
A
Cryotrap
B
Cryotrap
Figure A-S. Valco® valve flow pattern for pos1t Ofl5 A .n 1 d B.
10
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ASSEMBLY OF TE1IPER.ATURE CONTROLLER MODULES
Twc temperature control nodules, each with three controlling chan-
rels, are needed, one for the purge and trap system and one for the in ec-
tion port. and cryofocussing devices. Wattlow Series 100 temperature
controllers with Type J thermocouples are used for temperature control.
Table A-i provides a Farts listing for the two sets of terriperatUre control-
lers. Each temperature controller set is assembled for inclusion in a bud
box. Figure A-6 shows a schematic of the control and readout circuits.
Figure A-7 depicts the front panels of the two temperature control modules
used for controlling the various heating e ments on the purge and trap
and injection port systems. As the front panels indicates, there are
three channels per temperature control modue with individual toggle
switches for on/off of each channel as well as overall power. A six-posi-
tion non-shorting rotary switch is used to monitor the temperat’ires of the
various components. The temperature is read on a pyrometer (Figure A-7).
Temperature control module No. I is employed for controlling the
Valco valve (8), Tenax trap (6), and sample lines (5,6,20,21 and 22) on
the purge aad trap system (Figure A-7). Temperature control module No, 2
is used to control the temperatures on the injection pert block (1),
cryofocussing system (2), and, when executing the NEWS protocol, the
heating collar (8) on the purge and trap vessel. The six temperature
control channels have separate thermocouples for heat control and ten pera-
ture readout. In Figure A-6, the thermocouples found in control module
No. 1 for the sample lines, Valco valve, and Tenax trap are shown. Control
module No. 2 has thermocouples for the injection block, cryofocussing
trap, and heating collar for the purge and trap vessel.
The temperature controller and sensor thermocouples and the pyrometers
are calibrated against a standard source prior to their use on the purge
and trap system.
FABRICATION OF PURGE Afl) TRAP SYSTEM
Figures A-7 and A-8 depict the front and rear views of the purge and
trap system. A parts listing is given in Tables A-2 and A-4. A stand is
fabricated that will hold an aluminum plate on a rack system anchored to a wooden
11
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Figure A-6. Schcmatic of control and readout Circuits for
temperature control module No. 1.
(1 tr )
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GC Injection Systeei
Figure A-7. Purge and trap system with injection systcm.
a --
I,.
—
S
‘—a - ’-——,
— ,._ I . lap
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F gurc A-8. Purge and trap system (rear view).
14
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Table A-2. COMPONENT IDENTIFICATION - PURGE AND TRAP SYSTE 1
Item II Description
4 Sorbent trap (1.5 g Tenax CC; 35/60 mesh)
4A 3/8 in - 1/16 in stainless steel, fritted (10 i) reducing union
4B 3/8 in stainless steel nut
4C 10 in X 3/8 in o.d. X 5/16 in i.d. stainless steel tubing
5 Heated/insulated nickel transfer line from 6-port valve to GC
injection system (item 7 on right side of Fig. A—7), 1/16 in
c.d. x 0.040 in i.d. X 30 in
6 Heated/insulated nickel transfer line from 6-port valve to
sorbent trap, 1/16 in o.d. x 0.040 in i.d. x 14 in
1 Support for 6-port valve, Valco
8 Six-port valve, Valco C-6-T, 1/16 in zero dead v..luzne fittings
9 Support bracket for sample valve, Tekmar 1400507000
10 Sample valve, Tekmar 14036
11 Sample introduction needle, Tekmar 14—0033—053
12 Teflon tubing (1/16 in o.d. X —0.040 in i.d. X —20 in) with
needle (18 gauge X 14 cm)
13 Teflon tubi g (1/16 in o.d. X —0.040 in i.d. >( 8 in) with
Cheminert con.nector (LDC) for connecting to item 20
Sampler union, Tekmar 14049
16 Sample container, 243 ml., glass, 24 mm septum cap
17 Three-finger clamp, Fisher 05—742
18 Clamp holder, Fisher 05-754
19 Aluminum rod, 1/2 in, Fisher 14—666
20 Heated/insulated nickel transfer line from purge flask connecting
line (item 13) to 6-port valve, 1/16 in o.d. X 0.040 in i.d.
Xl4jn -
21 Heated/insulated nickel transfer line from 6-port valve to
sorbent trap, 1/16 in o.d. X 0.040 in i.d. X 20 in
22 Heated/insulated nickel transfer line from sorbent trap to
6-port valve, 1/16 in o.d. X 0.040 in i.d. X 5 in
23 Clamp
24 Sc ap bubble flowneter
(continued)
15
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Table A-2 (cont’d.)
Item 0 Description
25 Purge flask (See Chapter 6, HAS protocols, for details):
Approximate dimensions - 45 cm X 3.5 cm
Purge gas inlet — 1/16 in o.d.
Frit porosity - medium
Haterial — borosilicate glass
A: Hicroflex® valve, Kontes K-749100-21
B: Chromaflex® column valve, Kontes K-423600
C: Chromaflex® column valve, Kontes K-423600
26 Spring, 1-1/2 in
27 Dry purge valve, 4-port, Valco C-4—T, 1/16 in zero dead volume
fittings
28 Aluminum panel. 16 in x 26 in )( 1/8 in
29 Flexfrawe foot plate, Fisher 14-666-25
30 Purge gas line, Teflon tub 1 ng (1/16 in o.d. X —0.040 in i.d.
X —20 in) with Cheminert fitting (LDC)
31 Teflon tubing (1/16 in o.d. x —0.040 in i.d.) with stainless steel
needle (18 gauge X 2.5 cm)
32 Purge gas flow metering valve, Nupro SS-2SG, 1/8 in fitti .ngs
Unspecified Equipment
1 Rope heaters - Hotwatt, Inc., 250 watt, l2OV, 60 in
2 Insulation — gLass wool slerve 1/2 in < 1/16 in thick
3 Glass fiber tape — Scotch 27
4 Nickel tubing (surrounding 1/16 in Ni transfer lines) 1/8 in o.d.
X 0.085 in i.d. This sleeve is used to distribute heat more
evenly from heating rope to 1/16 in transfer line.
Vendors
1 Valco Instruments Co., Box 19032, Houston, TX 77024
2 Te mar Co., P. 0. Box 37202, Cincinnati, OH 45222
3 Fisher Scientific Co., various locations
4 Kontes Glass, P. 0. Box 739, ‘lineland, NJ 03360
5 Watlow Winona, Inc., 1265 E. Sanborn St.. Winona, HN 55987
6 Hotwatt, Inc., 128 Haple St., Danvers, MA
7 Laboratory Data Control, P. 0. Box 10235, Riviera Beach, iL 33404
16
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base. The dimensions of the aluminum are 1/8 in X 16 in x 26 in. It is
secured to the aluminum rack stand as indicated in Figure A-8. Holes are
drilled through the aluminum plate and on the two crossbars of the aluminum
rack and the holes are counter sunk on the plate for bolting the plate in
place. All the components then are assembled as indicated in Figure A-7.
The relationship of the purge and trap system (Figure A-7) with respect to
the injection port system is also indicated. The purge ann trap stand
should be conveniently located near the injection port system, which is
mounted on the gas chromatograph. lhe Ni transfes line (5, Figure A—?)
from the Valco valve (8) of the purge and trap system to the injection
port system (right side of Fig. A-7, item 7) is generally 2-1/2 to 3 feet
in length; its length is not cr1t cai since the sample will be focussed
prior to Injection onto the CC capillary. Table A-3 identifies the compo-
nents of the injection system.
The parts listing for the rear view of the purge and trap system is
given in Table A-4. For the proper assembly of the six-port and four-port
valves, it is important to consult the flow diagrams which are provided
ith the valves by the manufacturer to insure that the gas flow is properly
directed with each rotated position of the vahe. Figure A-9 . shows the
flow pattern during the wet and dry purge steps through the purge and trap
system. During purging of a water sample, the purge gas passes through
the purge ve.sel, the six-port Valco® vdlve, Tenax CC® trap Lix- port
valve and to the bubble meter (Valco valve i!l position A). During t e
“dry” purge step, the X-423600 valve (B, Fig. #-7) is closed and the gas
is directed to the 1/16 in Swagelock® T e Unior,, passing through six-port
valve, Tenax GC® trap and to the bubble meter (Valco valve in position A).
In either case the CC c .arrier gas passes through the six—port valve and to
the injection port system. During thermal desorption of the Tenax GC®
trap, the six-port. valve is rotated to posttion B nd the GC carrier gas
is directed through the Tenav rap in the reverse direction and then to
the injection port system.
Figure A- 10 depicts the dimensions of the Terax trap.
-------
Table A-3. COMPONZNT IDENTIrICATION - INJECTION SYSTEJI
Ite 0 DescriptiOn
1 Heating block, containing 6-port valve (Valco C6T)
2 Nickel capillary cryogenic trap
3 Gas chronatograph carrier gas inlet to injector
6 Septum sweep (outlet), closed durir g operations.
S Splitter erit (closed)
6 Vent
7 Heater/insulated transfer line from 6-port valve on purge and
trap systen t injector body, 1/16 in o.d. x 0.040 in i.d.
X 30 in (other end of Iten No. 3, Table A-2)
8 Purge flask heater, 3/1k n dta eter X 8 in, Vatlow 01808081
9 Electrical connection to injector body heater
10 Electrical conn ctiofl to cryogenic trap beater
11 Gas chronatograph bulkhead
12 Gas chronatograph injection port
13 C&pillary GC column
18
-------
Table A-4. COMPONENT IDENTIFICATION - PURGE AND TRAP SYSTEM (REAR VIEW )
Item 0 Description
1 Dry purge valve, 4-port, Valco C-4-T
2 Capped port
3 Purge gas line to purge flask, 1/16 in o.d. X 0.040 in i.d.
X 12 in (connected to line 30, see Fig. A—7)
4 Vent from 6-port valve for monitoring purge gas flow, 1/16 in
o.d. x 0.040 in i.d. x 20 in
S Dry purge line to 6-port valve, 1/16 in o.d. X 0.040 in i.d. X
24 in
6 Heater cable connections to purge and trap temperature controller
7 Purge gas flow metering valve, Nupro SS-2SG
8 Gas line from helium cylinder, 1/8 in copper
19
-------
(Transfer hne 7,
Figure A-7)
To Bubblo
Meter
C’
Plugged
Purge
Gas
(K—42 6OO)
To Injection
Port Valve
Carrier Gas
- Wet Purge
rigure A- 9.
Flow di igrrim of ptirgc and trap system.
-------
mm stainless steel fr t (10 u)
(as part of reducing unlor.,
Tab A.2. item 4A
1.5 g Tenax J
stainless 3/8” 0 D
steci tubing (8 on 1.0
7 mm stainless steel frit
(as part of reducing union,
Table A-2 , item 4A)
Figure A-b. Tenax trap for purge and trap system (Fig. A-7).
21
-------
ASSEMBLY OF SAflPLE TRANSFER SYSTEII (Va ANALYSIS PROTOCOL ONLY)
Figure A-li depicts a schematic of the volatile organic sample trans-
fer system. This is an expansion of a portion of Figure A-7 which shows
the relative position of the sample transfer system to the purge and trap
vessel. A two-way valve (G) is employed to direct the “on/off” pressuriza-
tion of the water sample container. Sixteenth inch Teflon tubing is used
to connect the two—way valve (G) to a stainless steel needle (F) with its
hub removed (18 gauge )C 2.5 cm in length). The water sample is delivered
into the purge and trap ve se1 using a stainless steei needle (D, Fig.
A—il), also with its hub removed (18 gauge x 14 cm in length), which is
attached to a 1/16” Teflon tubing (B) and the three—way sample valve
[ Fig. A-7 (lO) . The long and short stainless steel needles are in erted
respectively through the Teflon faced septum (H) just prior to transfer of
the sample.
22
-------
Two Way Valve (C)
Three Way
Sample Valve (B)
Gasket (A)
SS Relucing
Union (C)
sS
p’I
in
.116” o.d. X 8W
Sample Needle (0)
SS Hypodermic
Needle (I)
Magnet .c
Stirring Bar
Figure A-li.
Schematic of VO sample transfer systcm.
-------
APPENDIX B
RNR AND RECOVERY DATA FILE FOR INTERNAL AND
EXTERNAL STANDARDS AND ANALYTES IN HASQUANT
24
-------
INTPODUCTION
This Appendix is basically a computer hard copy of recovery and relative
molar response (RMR) factors of the Master Analytical Scheme’s internal
standards and its approximately 2130 model compounds. These data are part of
the computer files for MASQUANT, a program for calculation of concentrations
of analytes detected during unplementatjon of the HAS. The user should refer
to Chapter 1 (Section 1.2.7) and Chapter 13 (Section 13.4.2.2) of “Part 1:
Protocols” for a discu•J3ion of the general approach towards quantitation,
whether conducted manually or using MASQUANT.
GENERAL DESCRIPTION OF MASQLJANT
MASQUANT has been written to carry out some of the basic calculations
used to prccess data obtained using the Master Analytical Scheme. MASQUANT
consists of approxirrately 2,000 lines of source code written in ANSI subset
Fortran 77, which should make it operable on any computer capable of handling
this language.
The program consists of a main routine and sixteen subroutines, which
will be described in greater detail in Appendix C. The program is written to
run interactiveiy, with a continuing dialoque between the user and the
computer. After all of the data are processed, a report giving the calculated
concentration of each identified component is generated.
In order to use MASQUANT, three files need to be accessed from an
external disk or tape. The files are orçanized in a sequential fashion, and
are read or wri ” ter. to in this same manner. These files are 1) a file which
contains calculated correction factors for RMRs which can be applied to the
library file, if desired; 2) a stand ird file consistirg of internal and
external standards, along with associated data including recovery factors and
response factorq; and 3) a file, written in the identical format as file 2,
consisting of data for “unknown” analytes. The compounds and standards are
organized into 13 clases, consistent with the MAS Protocols. Detailed formats
for the three filceare given in Appendix C.
25
-------
USE OF TABLES
The following table llstb the 13 classes of MAS compounds and standards
for use with MASQUANT, with page numbers of correspon ir 1 g data tables. Each
table is in three parts: 1) a table of inter ’ a1 and external standards and
their identification numbers; 2) a tabulated matrix of standard ion RMRn,
which requires more than one page for Classes 3—8 ; and 3) a table of MAS UANT
computer output of recoveries and RMRs of analytes (MAS model compounds), which
often requires several pages for each class.
Table Class No. Class Page
8-1 1 RMRs and Recoveries for VO Compounds 27
8-2 2 RMRs and Rer.overjes for NEWS Compounds 35
8 -3 3 RMRs and Recoveries WABN Compounds
(BLLE, pH 8.0/No Fractionation) 40
B-4 4 RIIRs and Recoveries for WABN C mpounds
(BLLE, pH 8.0/Fraction No. 1) 61
8-5 5 RMRs and Recoveries for WABN Compounds
(BLLE, pH 8.0/Fraction Nos. 2 & 3) 82
B—6 6 RZIRs and Recoveries for WABN Compounds
(BLLE, pH 8.0/Fraction No. 3) 103
8-7 7 RMRs and Recoveries for WABN Compounds
(FJ, pH 8.0) 124
B-8 8 RMRs and Recoveries for WARN Compounds
(Accumulator Column, pH 8.0) 145
B-9 9 RMRs and Recoveries for ESSA Compounds 166
8—10 10 RJIRs and Recoveries for VOSA Compounds 171
B-li 11 RIIRs and Recoveries for NOVA Compounds 175
B—12 12 RMRs and Recoveries for SPill—PT Coru,ounds 178
B—13 13 RMRs and Recoveries for SAM—S Compou ids 181
Following are explanations of the MASQUANT coriputer output hard copy.
26
-------
For each compound (analyte) listing, ilata is arranged as follows:
Fir8t line: Compound Recovery Compound name and CAS number
Second and third lines: Analyte ion (m/z) Analyte RMRa vs. standard ions
Standard ions are listed at the top of each page under the atanaard
number. There are usually two ions listed for each standard (and two for each
analyte). See the first table in each class for identification of standards by
number.
Definitions/Explanations:
Compound : compound (analyte) number assigned in MASQUANT
Analyte ion: ion (m/z) of analyte for which an RMR has been determined.
There are usually two for each compound.
Recovery: recovery determined for the analyte using the prescribed
protocol, e.g., 1.00 100%, 0.97 = 97%. Compounds whose
recovery have not been determined using the prescribed protocol
are assigned a numerical value of 0.01.
RMR (relative molar response): space is allocated for two RMR values for
each analyte ion measured against each standard. If a standard
contains only one ion, a dash C—) is placed at the heading of the
second column and no values are listed in that column. A RI4R of
is greater than 9.99; a RMR of 0.00 is less than 0.01. All
RMR were determined using a Finnigan 4021 CC/MS with an Incos Data
System.
NOTE: Classe8 3—8 use more than 5 standards; there is room for only S per
page, so there are 2 pages of data for each analyte for these classes.
Table B-i. RMRs AND RECOVERIES FOR VO COMPOUNDS
Class No. I
Standard ID No. Standard Name
1
perfluorotoluene (external)
51
d 5 —Bromoethane (internal)
52
2,4,6—d 3 —Anisole (intern ti)
53
d 5 -Chlorobenzene (internal)
54
d 8 —Naphthalene (internal)
-------
Stindird
:on
Rcco erf
u/i 286
u/i 236
u/i I I
rn/a I I I
u/i SO
u/a 66
perf luorotoluene
286
236
NA
.
1.08(3)
93 ($)a
•
I W(27)
2.42(25)
70(27)
.75(25)
1.13(6)
I 19(13)
.55(24)
.98(11)
3 22(270
3.30(24)
1.46(18)
2.91(25)
2.57(22)
1.69(19)
2.61(22)
1.73(20)
2.4,6-d 3 -inIsoIs
82
lii
0 57
0 Si
.82(29)
2.53(30)
.76(28)
1.42(27)
.
2.87(2)
. 54(2)
•
.92(17)
1.71(17)
.45(28)
.61(17)
7 87(45)
5.35(45)
2.32(44)
2.15(44)
2.55(34)
7.88(34)
1.60(36)
7.97(35)
d 5 -chlorvberuene
82
I ll
I 22)
I 20
.91(19)
1.17(17)
.85(16)
1.75(14)
I 11(16)
2.25(11)
.60(17)
1.23(17)
•
2 05(2)
.49(2)
-
3.07(24)
6.31(24)
1.43(23)
2 92(72)
1.66(18)
3 38(18)
1.70(18)
3.49(19)
d 10 .diethyl ether
50
66
NA
NA
.34(22)
.72(24)
.31(21)
.67(22)
.42(49)
.88(44)
.22(45)
.48(44)
.35(27)
.75(26)
.27(25)
.37(25)
—
2.26(2)
.46(2)
.
.97(21)
1.23(20)
1.27(20)
d..br othaj e
123
1*5
0 85
0.89
.66(22) .61(19)
.64(22) .59(19)
.72(30)
.69(30)
.38(3*)
.37(31)
.63(16)
.61(17)
.31(17)
.30(27)
1.82(19)
2.76(20)
.83(18)
.82(19)
.
. 7u
1 03(l)
—
Note: This matrix was generated before final internal standards were selected. The correct
standards are listed on the first part of Table B—i (pr’2ceeding page). The matrix as shown here
includes d —diethyl ether, but omits d —naphthalene. However, on the RNR and recovery tables
on pp. 29- 9, values for standards 1, s 9 , 53, and 54 are given; i.e., naphthalene is included but
bromoethan and diethyl ether are not. (There are a few excepticrts where bromoethane is used, but
naphthalene is not.)
W TRIX OF STANDARD ION RNRs
St.ndatd
Per(luorotOIu i r
2. 3,6-d.AnI iolt
s/i 82 s/a 117
J 12 -0I,th 7 l ether
d 5 .IrosoethsA e
u/a II I •F 115
a
(CV)
-------
1ntern I/External Stand3rd FIle tor npd Class I 1
Cm d$ Recovery Compound Name
Std I I Std 151 Std 152 Std 153 Std 154
Mass 186 236 113 115 81 lii 82 117 136
105 1.25 TOt,UENE 109883
91 2.05 1.89 2.25 1.21 2.13 1.04 0.32
92 1.32 1.21 1.44 0.18 .1.37 0.67 0.20
106 0.01 O—XYL ENE 95476
91 2.00 1.87 2.45 1.32 2. 9 1.09 0.34
106 1.10 1,03 1.35 0.13 1.25 0.60 0.19
107 0.98 P—XYLENE 106423
91 1.84 1.6? 2.81 1.39 2.39 1.07 0.33
106 1.07 0.95 1.56 0.86 1.48 0.65 0.20
108 0.96 ETHYLBENZE.NE 100414
93 3.18 2.12 3.47 1.98 3.30 1.60 0.49
106 1.11 1.02 1.21 0.65 1.15 0.55 0.17
109 0.01 2—METHYLSTYRENE 611154
117 0.18 0 74 0.93 0.50 0.98 0.42 0.13
116 0.98 0.93 1.18 0.63 1.11 0.53 0.16
110 0.77 1,3,5.rRIM THYL8ENZENE 108679
105 4.02 3.80 4.80 2.58 4.54 2.16 0.65
120 2.31 2.24 2.83 1.52 2.68 1.27 0.38
111 0.94 1,2,4.TRIME.THYLBENZEUE 95636
105 2.23 1.95 3.20 1.13 2.98 1.32 0.38
120 1.26 1.11 1.85 1.33 1.79 0.78 0.21
112 0.01 ISOPR3PYL BENZC E 98828
105 2.73 2.21 3.11 1.68 2.60 1.23 0.49
120 0.82 0.59 0.95 0.51 0.18 0.37 0.15
113 0.01 O—ETHYL.T0LUE ’.E 611143 /
105 3.38 3.11 3.70 2.30 3.52 1.71 0,52
120 1.14 1.05 1.24 0.67 1.18 0.58 0.18
114 0.01 P—ETH iLT0LUENE 522958
105 3.20 2.99 3.92 2.12 3.66 1.75 0.54
120 1.05 0.98 1.28 0.69 1.19 0.57 0.18
115 1.13 SEC—bUTYLR NZENE. 135998
105 3,69 3.09 4.30 2.32 3.54 1.68 0.67
134 0.89 0.75 1.04 0.56 0,86 0.41 0.16
136 0.81 P—DICrHYLbENZENE 105055
91 0.61 0.55 0.67 0.36 0.63 0.31 0.09
119 2.37 2.18 2.59 1.43 2,47 1.20 0.37
117 1.00 4—METHYL1SOPROPYLBENZFME 99875
119 3.35 3.18 4.00 2.15 3.79 1.80 0,54
134 0.95 0.90 3.14 0.61 1.08 0.51 0.15
29
-------
Intern3l/Exterr al Stdnd3rd File tor mpd Class $ I
Cmod$ Recovery Conpound Name
Std $ 1 Std $51 Std $52 Std $53 Std $54
Mass 186 236 113 11 81 111 82 117 136 —
118 0.74 NApurHAI L NE 91203
128 4.46 3.93 b.67 3.56 5.71 2.73 0,78
119 0.59 !)1PHENYLMLTHA E 101 15
167 2.98 2.49 3.45 1.86 2.85 1,35 0,54
168 3,18 2,62 3.63 1.96 2.99 1.42 0.57
120 1.13 TERT—aUTYL1i NZ E 98066
119 2.64 2.41 3.24 1.75 3.02 1. 4 0.45
134 0.61 0.63 0.63 0,45 0.77 0,31 0.11
121 1.16 FLU0 3E ENZENE. 620b6
70 0.30 0.25 0.35 0.19 3.29 0,14 0.05
96 1.49 1.21 1.13 0.93 1.42 0.68 0,27
122 0.91 CHLOH3BENZLNE 108907
71 0.83 0.73 1.25 0.62 1.03 0.46 0.15
112 1.65 1.46 2.32 1.33 2.32 0.98 0.29
123 1.23 BR0M08E Z NE 108861
77 1.90 1.59 2.21 1.19 1.82 0.87 0.35
156 1,?7 1.05 1.53 0.52 1.22 0.58 0.23
124 0.01 BENZYL,HLIJRIDF 100447
91 1.83 1.73 3.31 3.42 2.83 1.52 2.21 1.06
126 0,45 0.44 0.84 0.85 0.71 0.38 0.56 0.17
125 1.04 PR)10LU NE 10b387
91 1.99 1.89 2.39 1.28 2.25 1.07 0.32
110 1,00 0.95 1.20 0.64 1.13 0.54 0.16
126 1,06 IODOTOLUEFJE(P) 624317
91 2,18 1.52 2.62 1.41 2.15 1.02 0.39
218 2.82 2.36 3.39 1,P3 2.70 1,28 0.51
127 1.16 1,2 —0L HL0R0BE ZENE 541731
111 0.85 0.71 Q•99 0.53 0.82 0.39 0.15
146 2.36 1.97 2.74 1.4d 2.26 1.07 0.43
128 1.03 1,3—0I0 0BE JZE6 95501
111 0.78 0.73 0.93 0.53 3.88 0.42 0.13
146 2,24 2.11 2.66 1.43 2.52 1.26 0.36
129 0.83 1,4—UI 0RD 3E iENE 106467
111 0.92 0.84 1,00 0,S4 0.95 0.47 0.14
146 2.73 ,51 2,99 1.51 2.84 1.28 0.42
130 0.92 2.BR0M0CHLUR0BENZU . 694804
196 1.53 1.40 1.67 0.90 0.78 0.24
192 2,03 1.86 2.22 1.10 2.11 1.03 0.31
30
-------
intern3l/EXterflal Standird tile før npd Class I 1
,Cmpdl Recovery Co’npound Nane
Std i 1 Std 151 Std 152 Std 153 Std 151
Mass 186 236 113 115 81 lii 82 117 136
131 1.06 4.BRUMOZHUUROBEN1ENE 136398
190 1.34 1.21 1.60 0.Bb 1.52 0.12 0.22
192 1.81 1,68 2.12 1.11 2.01 0.96 0.29
132 1,01 1,2,4.TRICHLOR3BENZ E 120821
180 1.83 1.62 2.72 1.46 2.37 1.11 0.33
182 1.80 1.59 2,68 1,44 2 ,28 1,09 0.32
133 0.70 A,A,rRIcHLoR r3LUE NE 980 1
159 1.63 1.52 1.85 1.03 2.09 1.03 0.21
161 1.10 1.0 1.24 0,69 1.41 0.70 0.18
134 0.01 3.CHLDRORE( ZONIrR(L
102 1.13 0.97 1.35 0.73 1 11 0.53 0.21
131 4.22 3.63 5.03 1.41 4.15 1.97 0.78
135 0.68 ANISOLE 100ô63
78 0.71 0.66 0.87 0.47 0.81 0.39 0.12
108 1.27 1.23 1.51 0.85 3.46 0.70 0,22
36 0.47 111PHL’ YL ETHER 101848
1 1.18 1.08 1.28 0.69 1.22 0.60 0.18
170 3.57 3.23 3.90 2.11 3.10 1,81 0.55
137 0.01 BENZYL ETHER 103504
91 4.37 4.13 5.20 2.80 1.52 2,35 0.70
92 5.60 5.3) 6.67 3.58 2.01 3.01 (‘.90
138 0.67 PR0PYL.LN OXIDE 755n9
29 0.52 0.41 0,b9 0.70 0.56 0.30 3,49 0.25
58 0,27 0.24 0.35 0.36 0.2b 0.15 3.25 0.12
139 1.15 DIETHYL ETHER 60291
31 1.89 1.72 2,50 2.55 2.00 1.07 1.75 0.88
59 0.62 0 ,55 3,82 0.83 3.65 ).35 J .57 0.28 -
140 0.80 2—METHYLFURAN 534225
53 0.48 (1.45 0.86 0.88 0.74 1.57 3.58 0.28
82 0.77 0.73 1.39 1.43 1.20 0.22 9,93 0.45
141 0.98 AL, [ aYU ETHER 5 Sf4u
41 1,88 1.77 3.39 3.50 2.92 0.40 2.28 1.0
69 0.27 0.25 0.48 0.50 0.42 0.64 3.33 0.15
142 0,70 HEXYL ETHER 112583
43 4.29 3.9) 4.83 2.58 5.42 2.68 0.71
85 3.53 3.25 3.91 2.20 4.47 2.21 0,:,H
143 1.00 CARBOM 0I5U1,F1OI 75150
lb 2.26 2.06 3.00 3.06 2.37 1.21 .07 1.04
31
-------
Internil/Externil Stanlsrd File sOl tpd Class I I
Ceodi Reeovery oepour d Nd e
Std I I Sti IS) Std 152 Std IS) Std 154
Mass 186 236 1)3 115 81 1 )1 82 111 136
144 1.20 ?HI)PH N 1100 1
58 0.49 0.47 0.58 0.31 0.55 0 ,ib 0.08
84 0.97 0,92 1,16 0,62 1,10 0.52 0.16
145 1.13 CYUPINTA’ E 287923
42 1.84 1.68 2.44 2.49 1.91 1.32 1.68 0.84
70 0.41 0.43 0,63 0,64 0,50 0.27 0.44 0.2 l
146 0.85 CYOA I 113027
56 1.34 1.26 2.41 2.49 2.08 1.12 1.b2 0.77
84 0.99 0,93 1,78 1,84 1.54 0.83 1,20 0.57
147 1.05 Ii XAN 110543
43 0,89 0,83 1.09 0,59 1.02 0.48 0,15
41 0,69 0,65 0.85 0,4b 0.79 0,38 0,12
148 1.20 H PTANE 142825
57 0.61 0,56 0.67 0.36 3.63 0.31 0.09
71 0,63 0,57 0.68 0,31 3.b4 0.31 0.10
149 0,01 1—OCTENI. 111660
41 0,92 0.76 l.Ob 0,57 3.88 0,42 0.11
55 0.73 0,61 0.85 0.46 3.10 ( ‘ .33 0.13
150 1.03 OCTANE 111659
43 1.54 1.36 2.13 1.22 1.18 0.94 0.27
57 0.52 O,4 3.11 0.41 3.60 0.32 0.09
151 0.79 WON 111042
43 2.27 2.13 2.79 1.51 2.60 1.24 0.38
57 1,69 1,58 2.01 1.12 1.93 0,92 0.28
152 0.96 DIP JiTEr E 5989275
68 0.61 0.52 0.95 0.41 0.76 0.33 0.11
136 0.14 3.11 3.22 0.12 3.19 0,38 0,02
153 0.89 N—DI CANI 629505
51 2,76 2.56 3.11 1,73 3.50 1.73 0,46
71 1,07 0.98 1.20 0.b7 1.35 0,67 0,18
154 0.50 N—uNDE ANE 1123214
43 2.55 2.41 3.04 l.bi 2,8b 1.37 0.41
57 2.10 2.55 3.22 1.13 3,05 1.45 0,43
155 0.67 ‘ —00DEAh 112403
43 2,90 2.42 3.Jb 1.81 2.77 1.32 0,52
57 2,99 2.53 3,46 1.97 2 . 6b 1.3b 0,54
156 0.44 N—TRIOEAUE 629505
43 2.90 2.82 3.56 1.91 3.37 1.60 0,48
57 3,56 3.37 4.24 2.23 4,02 1,91 0.57
32
-------
interna1IExterr al Stand8rd File for : pd Class ; I
Caodl Recovery 0%poufld Nate
St 1 $ 1 Std USI Std 052 Std $53 Std s54
Mass 186 236 113 115 81 1)1 82 111 136
157 0,49 N.TITRADECANE 629594
57 2.19 2.03 2.41 1.37 2.78 1.37 0.36
11 1.28 1,18 ).44 0.80 1.62 0.60 0.21
158 0.0) 8R0M0 ETKAN 74939
94 1,05 0.99 1.91 1.96 1.63 0.87 1.21 0.61
96 0.99 0.23 1.79 1.84 1.52 0.82 1.19 0.5,
159 0.01 OIHL)ROMETHANE 15092
4’ 1.47 1.34 1.95 1.15 1.55 O.d3 1.35 0.68
84 0.85 (1.77 1.12 0.13 0.89 0,41 0,78 0.39
160 0.95 BRo o:KLopoMErHA 14915
49 0.95 0.90 ).11 1.76 1.47 0.19 1.15 0.55
130 0,60 0.56 1.08 1.11 3.93 0.50 3.12 0.35
161 0.78 CKL0R0 0P 67663
83 1.24 1.17 2.24 2.31 1.93 1.33 1.50 0.72
85 0,J1 0.77 1.41 1.51 1.26 0.68 0.99 0.47
162 0.01 VIMYL H1.ORIDE 15014
62 1.06 0.97 1.41 1.44 1.11 0.59 3.97 0.49
64 0.33 0.33 0.44 0.45 0.34 0.18 0.30 0.15
163 0087 TRAN5.1,2D1 P0E1HYL F 540590
61 0.93 0.85 1.23 1.26 3.41 0,52 3.85 0.43
96 0.65 0.59 0.86 0.88 0.68 0.36 3.59 0.30
164 1.02 i.?.o1:HLuHa TH NL 101362
62 0.52 0.48 0.51 0.31 0.54 0.2b 0.08
98 0.12 0.11 0.14 0.01 0.13 0.06 0.02
165 0.77 1,2—D1BH0M0EFHA’ E 106934
107 1.68 1.38 1.91 1.03 1.58 0.75 0.30
109 1.54 1.29 1.79 0.19 1.48 0.10 0.28
166 1.18 TRICHLJ1 0ETHY1j E 79015
95 0,69 0.66 0.83 0.45 0.79 0.3 14 0.11
130 0.77 0.73 3.92 0.49 3 . 81 0.42 0.12
161 0,01 1,i,2 Tk1CHLDRJETNANE 79005
97 0.75 0.69 3.91 0,49 3,81 0.41 0.13
99 0.47 0.44 0.57 0,31 0,54 0.26 0.08
168 0.64 ALLYL HL 0H1DE 107051
39 0.78 0.71 1.03 1.05 0.83 0.44 3.72 0.36
41 1.23 1.12 t.b3 1.66 1.28 0.69 1.12 0.56
169 0.77 TETRANLOKOETIIYf,ENE. 121184
164 0.83 0.71 1.27 0.72 1.17 0.50 0.15
1b6 1.08 0.93 1.65 0.04 1.54 0.66 0.19
33
-------
Intern 1/Externa1 Standard FUe for pd Class I I
Cmpd$ Reeovery Compound Name
Std I 1 St 151 Std $52 Std 153 Std $54
sass 186 236 113 115 81 111 82 117 136 —
170 1.28 1,2—DIHL 0R3PRJPANE 78875
62 0.50 0.44 0.62 0.33 0.51 0.24 0.10
63 0,72 0 ,60 0,85 0.46 3.70 0.33 0.13
171 0.99 2—BR0’ 3—1—CH [ ,QR3pF 3pANE 3011956
41 0.40 0.37 0.47 0,2b 3.54 0.27 0.07
77 0.50 0.46 0.58 0.32 3.b8 0.33 0.08
112 0.90 1,2—C1BROMOPR3PANE 78751
121 1.28 1.18 1,40 0.75 1.33 0,64 0.20
123 1.22 1.12 1.33 0.72 1.27 0.62 0.19
173 1,17 2—BMOM3BUTANE 18762
41 0.86 0.79 0.97 0.54 1.09 0.54 0.14
57 1.50 1.40 1.70 0,94 1,92 0.95 0.25
174 0.01 1,4—01ZuLoF oburAN 130565
55 1.62 1.35 1.92 1.03 1.57 0.75 0.29
90 0,32 0.27 0.38 0,23 0.31 0,15 0,06
175 1.03 1,4—o1aRoMoBurAN 110521
55 1,57 1,41 1.93 1.0 1.80 0.86 0.27
135 0.98 0.92 1.21 0.b5 1.13 0,54 0,17
116 0.01 1—BK0MD—2—METHyLBuTA1 E 10422352
43 1.21 1.14 1.49 0.80 1,39 0.66 0.20
71 0.56 0.53 0.69 0,31 0.65 0.31 0,09
177 1.28 1.CHLJROHEXANE 544105
55 0.69 0.65 0.1 5 0.46 0.79 0.38 0,12
91 1.00 0.93 1,22 0.bb 1.14 0,54 0.17
178 1.29 111251
43 1.66 1.52 1.81 0.98 1.73 0.84 0.26
135 0,54 0,53 0.55 0.32 0,56 0.27 0.08
119 0.01 1—BR0’ D0ECAl E 112298
35 1.45 1.34 1.63 0.91 1.84 0.91 0.24
137 1.56 1.44 1.76 0.98 2.06 1.02 0,26
180 0.76 & NZEN 71432
70 1.77 1.67 3.18 3.28 2.75 1.47 2.14 1.02 0.21
34
-------
Table B-2. RMRs AND RECOVERIES FOR NEWS COMPOUNDS
Class No. 2
Standard ID No.
Standard Name
1
Perfluorotoluene (external)
55
d 9 -t—Butanol (internal)
56
d 5 -Nitrobenzene (internal)
35
-------
Stindird
Ion Recovery
MATRIX OF STANI)ARI) ION RNRs ___________
StjnI r.I
hrf Iuorc,toluenr
.Fz 186 m/z 236
Pert luorotoluene
d 9 -t-Butano l
d 5 -Nttrobrnzrn e
d 9 -t8s,tinu l d _Nitrob.1I efle
i./7 46 ./z 6S mid. t? mIt 178
186
NA
NA
—
0.96 (16)
I 18
—
1.73
(16)
1.26
(1(i)
0 68 (0)
I 77 t .17
(10)
0 SI (7)
—
0 64
(18)
0 47 (II)
1 82 1 .27
(15)
46
6
0 98
0 98
0
I 01
(19)
0 81
(II)
I SI (20)
0 19 (20)
2 89 1 .51
(17)
Ii
(10)
2 2%
(2)
1.32 (19)
-
3.99 2 .04
(1)
82
128
0 93
0 9S
1 30
0
(6)
0.51
(in)
1 07
(6)
U 59
(20)
0 46 (8)
•
aCoefficicnt of variation for triplicate determinations are givel in
parenthesis.
-------
1ntern 1/€xterni1 Standard fjle for T pd Class I 2
CmDds Recovery
Std * I
Maa s 186 236
o pound Name
Sti *55
46 65
Std *56
82 128
t.PRUPANOL, 71238
0.29 0,07 0,04 0.21
0.07 0.05 0,03 G.09
l.BUTANO [ 1 11363
0.64 0.24 0.17
0.57 0.39 0,28
L—P .NT&N0L 71410
1.30 0.40 0.29
0.34 0.23 0.16
CYCLOHEXANOL . 108930
0.10 0.01 0.01
0.03 0.02 0.01
1—KEXAMOL 111213
1.56 0.58 0.43
0.08 0.06 0.04
1.HEPTANOI 111106
1.86 0.12 0.52
1.33 0.64 0.92
1—OCTAMOL 111975
1.16 0.49 0.34
0.48 0.43 0.29
BUTOXiETHANOL 111762
0.81 0.47 0.40
0.03 0.02 0.02
PROPI3MALL)EHYOE 1233
0.16 0.09 0.07
0.05 0.03 0.02
103
42
60
104
41
Sb
105
42
70
107
57
67
108
56
84
109
41
70
110
41
69
112
41
57
114
57
59
l ’ s
72
116
41
70
117
44
58
118
95
96
0.55
0.49
1.00
o • 35
0.12
0.08
I • 10
0,0;
2.02
1.45
1.43
0•5
0.76
0,03
85
0.16
0.04
1.08
0.14 0.06
0,OC 0.02
1.20
0.46 0,20
0.42 0.18
1.13
0.77 0.33
0.24 0.13
1.22
0.07 0.03
0.03 0.01
I • 31
1.14 0.48
0,05 0.03
1.06
1.36 0.58
0,97 0.42
1.00
0,44 0.39
0,39 0.11
0.01
0,45 0.54
0.02 0.02
0.99
0.09 0.09
0,03 0.03
0.72
0.15 0.14
0.83
0.57 0.56
0.32 0.i2
0.91
0.64 0,63
0,19 0.ld
0.45
0.30 0.32
0.29 0.31
BU!YRALDEHYOE(M) 123728
0.26 0.15 3.11 0,53
CRQTO’IALDEKIDE 4170303
1.03 0.58 0.44 0.97
0.47 0.28 0.26 0.5
VALEPALDEHYDE 110623
1.16 0.66 0.50 1.09
0.33 0.15 0.23 0.31
FIJR UR4L 98011
0.54 0.27 0.23 0.50
0.53 0.29 0.23 0.49
37
-------
1nternaj/ :xterna1 Standard File tar i pd Class I 2
Cmpdi
Mass
Recovery
Std 1 1
18b 236
Cc pound Name
Sti 155 Std i56
4b 65 82 128
119
60
0.45
0.17 0.17
METHYL. FORMATE 107313
0.31 0.17 0.13 0.29
120
43
74
fl.59
1.75 1.71
0.24 0.23
METHYL ACETATE 79209
3.16 1.80 1.80 3.03
0.43 0,29 0.19 0.41
121
43
bI
0,53
2,47 2.41
0.24 0.44
ETHYL ACETATE 141786
4.29 2,52 1,90 4.20
0.44 0.27 0.19 0.42
122
43
0.65
3.10 3.02
AL.L .YL A ?ATE 591871
5.61 3.17 2.39 5.26
123
43
61
0.59
3.21 3.12
fl,b8 0.66
PROPYL. ACETATE 109604
5.80 3.29 2.47 5.45
1.22 0.83 3.53 1.14
124
43
71
0.45
1, 6 1.13
0.87 0,84
ETHYL BUTY8ATE 105514
2.10 0.91 0,77 1.98
1,57 0,95 0.68 1,41
125
43
56
0.53
2.79 2.10
0.19 0.11
M—BUTIL. ACETATE 123864
5,04 2.20 1.97 4.74
1.42 0.70 0,b2 1,34
126
42
12
0,79
1.23 1.25
0.30 0.56
TETRAHYDPOFURAM 109959
2.21 1.30 3.98 2.06
0.56 0.38 0.24 0,53
127
88
58
0.3i. .
0.17 (..18
0.14 0,15
D10XA 4E 123911
0.26 0,19 0.14 0.19
0.31 0.17 0,11 0.22
128
43
58
0.01
1.54 1.52
0.56 0.55
AET0 4E 61641
2.79 1.55 1.19 2.62
1.01 0,66 0.44 0.95
129
43
72
0.69
2,34 2.29
0,36 0.35
METHYL. ETHYL. KE1 3 i1. 18933
4.23 2.37 1,80 3.98
0.64 0.43 3.27 O.bO
130
55
84
0.52
0,69 0.83
0,24 0.30
CYCLUP NTAN0 E 120923
1.25 0.72 0.62 1,13
0,44 0,26 0.22 0.48
131
55
99
0.52
0.68 0,80
0.20 0.28
CYCLOrIEXA )NE 138941
1.24 O ,72 0.61 1.15
0,48 0.23 fl .20 3.19
133
53
52
0.59
1.06 ).38
0.89 0.45
A1L J S1TPILE
1.15 0.56
1.46 1.11
101131
0.40 1.33
0.70 1.58
38
-------
Internal/ xter 1 Stanci3r File for i pd Class a 2
Cmpdl
Recovery
Compound Name
Std I I
Std 155 Std 156
Mass
186 236
4b 65 82 128
134
0.95
PROPION1TRIL.E 107120
54
1.28 0.51
1.72 0.68 0.45 1.93
55
O ,)9 0.09
0.27 0.19 0,13 ‘),30
135
0.57
jSoBuryRoNITpIt,E 78820
42
2.64 1.12
3.63 l,3 1.00 3.95
68
1.09 0.46
i S0 1.04 0.72 1.64
136
0.91
B NZ0 1TR1L.E 100410
103
4.10 1,74
2.11 1.83 ,54 2.30
76
1.54 0.65
5.63 3.86 2.15 6.14
137
0.96
NIrRoME.THAN 75525
61
0.52 0.25
0.64 0.31 0.22
46
0.46 0.20
0.72 0.56 0.39
138
0.93
NITROPROPANC 108032
41
1.87 0.73
2.3b 0.91 0.65
43
1.54 0.65
2.12 1.61 1.02
139
0.96
NITRQBENZENE 98953
77
2.66 1.13
3.65 1.40 1.00 3.97
123
1.16 0.49
1,59 1.10 J.17 1.13
0.69
0.89
OM 79469
2. Sb
2.28
39
-------
Table B-3. RMRs AND RECOVERIES FOR WABN COMPOUNDS
(BLLE,pH 8.0/NO FRACTIONATION)
Class No. 3
Standard ID No.
Standard Name
2
4—Fluoro-2-iodotoluene (external)
54
d 8 -Naphthalene (internal)
56
d 5 -Nitrobenzene (internal)
57
d 10 -o-Xylene (internal)
58
d 5 -Phenylethanol (internal)
59
d 5 -Acetophenone (internal)
60
d 5 -Propiophenooe (internal)
61
d 12 —Perylene (internal)
62
d 9 -Arridine (internal)
63
d 5 -Phenol (internal)
40
-------
M)\TRIX OF STAND!%RI) ION RMRs
J 10 .o.1y*enr d 9 .N.phthS* l’V l 5 .N1tTObefl,. %S d 5 .PbIAyItthsnoI
rn/i 98 .Iz *16 • S 136 82 .Iz 128 s/i 84 .Fi l I Z
Co. 9 ound Ion Recovery !‘! ___________________
dçphe1 oI 99 0 85 S9(9) 99(91 . 1 7 ( 6) * I)l( ) I 66U) I 44(15) I 75( 15)
d 10 .o.Zy leRe 0 59 * 72 19) — 1. 67( 1) .29 ( 6) I 7 9(8) 2.84(8) 4 21(21) 3 02(U)
— 116 0 58 I 03 1.) 60(0) - . * 5(6) I 07( l) 1.71(8) 2. 53( n) I SIt U)
d 3 .n.phthS*enC *36 0 71 5 97(4) 3.Sl(7) 5.S (,) . 6 il(S) 9 98(3) II 611* 5) *0 59(1 1)
d 5 . n lirobenlrl%e e2 0 79 .91(4) .57(10) .9 .(lO1 *6(3) • I bO l l) 2 35( 17) 70(16)
*28 0 79 .6 1(2) V (9) 59(9) .I0(Ij bill) I 41(16) I 01(15)
d 5 .phenYICthIfl OI •4 0 80 .42(15) .25(24) .12(24) ? (I8) 41(16) .70(15) .73(2)
0 80 .S 5(I 5) .35(22) .SR(Z3) 098 1*8) 61(16) .95( 16) I. )9(2)
4 5 .proptophe%one 82 0 7) I 09(4) 65(I )) I 07114) .I8 l) I *3 (6) ).8(b) 2 63( 11) 1.90(10)
0 73 2 85(S) * 61(13) 2 781*4) 48(17) 2 9116) 4 12(b) 6 841*2) 4 9 5(h)
d ..c.topI enone LID 0 75 *52(2) 90(7) I 50 )8) .25(4) I 60(5) 2 SS(I) 3 71(17) 2.681*6)
S 2S 0 .4 6 * 2) 27(8) 45(7) 7 (i) 44(3) 16(4) I lull) .5*117)
.076
d 12 .p .ryI enI 264 0 80 3. 56(I)) 2 09(7) 3 48(8) 6U(9) 3 ?flIIl) S.90(*2) S 52(25) 6.37(25)
d 9 .acr ldtn . I I I 0 84 1.45(7) 86(15) 1.43(15) .24*5) * 5 1(6) 2.40(6) 5 57( 5 )) 1.55(13)
4_fluOTO.2 —iOdOtOIUCfl *09 1.10(4) 65(7) I 04(8) .1 5(3) I.l4(2) I 82(2) 2 69(1 1) I 97(19)
NA I 43(4) 54(6) I.39(7) 24(6) 1 48(3) 2.37(3) 3 41(18) 2.521*8)
(Continued)
-------
‘
d 5 .Proplophemone
Caupow d Ion Recovrry e / i e2 .J 110
S (an4arJ
d 5 .Ace ophenone
d 1 1 -P ryI ne
.1* z i
d 9 .AcrId nC
./t es
4-F lIIOro-2-IodotOluefi.
./i *09 .;t 236
. z
lID
s/ i
(25
4 5 .phenol
99
o 45
.92(5)
3 3(5)
.67(2)
2 2 1 (3)
3 1(13)
70(7)
.9 1(3)
.7 1(4)
d 10 -o•1 7 ’ (4ne
95
116
0 36
0 Se
I 59(12)
.93(13)
.61(15)
.37(12)
1.1311)
67(6)
3 17(7)
2 27(7)
S3(I0)
57( 10)
1.70( 1 ))
.72(15)
1.56(6)
.94(6)
I 7 1(6)
.73(6)
d 5 - aphth.Iene
d 3 -n 11r beni,ns
136
g
0 7*
0 79
0 9
5.51(6)
.69(6)
SS(6)
2.13(S)
.34( 6)
.22( 6)
3.9 1( 1)
63(1)
39(l)
13.14(3)
2.IZ(I)
I 31(3)
1.76(13)
29(19)
* 5(20)
4 20(6)
67(6)
.42(6)
5 1 3(I)
.66 12)
.SS(3)
4.20(I)
.6 (U)
.42(5)
d 5 .ph nyIeIh.noI
0 80
0 80
.39(11)
• 3 ( o1
15(10)
ZI(’ )
28( 16)
9 ) 1 16)
93(1?)
I 21(161
oUR)
IA IJ•)
.29(11)
11(13)
SAIlS)
.52(19)
.30(07)
42(16)
d .propLophenon.
0 73
0
•
2. 60( l)
.3 9(I)
.
.7 1(7)
(.63(6)
2 40(6)
6 21(6)
35( 73)
57(19)
.76(5)
00(5)
(.00(7)
2 59(7)
.77(7)
(.99(7)
d 5 .acetophenone
1(0
0
‘
1.4 1(6)
.42(6)
. 5 5(6)
. 1 6( 3)
•
53(7)
3 39(I)
-
.47( 14 1
. 14 ( 16 )
I *0(9)
32 (9)
I 37(4)
42(2)
1.07(2)
.3’(3)
d 12 .p.ry)en.
d 9 -acrldlno
4-fluoro.2.lodoto luen.
264
las
*09
236
0 60
0 64
Ill
NA
3 08( 14)
1.01(7)
1 3 1 (7)
I 77(16)
.32(5)
.39(7)
SI(7)
2.37(12)
.93(10)
7 1( 1)
92(5)
7 91(12)
3.lc(II)
2 40(2)
3 1 1(2)
.
39 (a )
34( 12)
42( 16)
2.30(86)
.
.76(6)
I 00(6)
3 21(9)
(.32(6)
•
I 30(I)
2 51(9)
I 03(6,
.77( l)
—
a(C )
-------
Internal/Exterr a1 Star ard File tOr mpd Class I 3
Cmpdl Recovery oi pound Name
Std • 2 Sti 154 Std 156 Std 151 $td 158
Mass 109 236 136 — 82 128 98 116 84 112
110 0001 P—NITRDANI [ ANE 100016
65 0.44 0,35 0,08 0.52 0.83 0.27 0.46 1.30 0.97
138 0.56 0.45 0,11 0,67 1,07 0.35 0.58 1,68 0.22
111 0.80 2,4.D1THYLQUlN0I 1N 1198374
156 0.41 0.32 0.08 0.47 0.75 0.26 0.43 0,95 0.68
157 2.01 1.54 0.31 2.31 3.59 1,27 2,11 4,64 3.31
112 0.01 1,8—D1AMINoNApMrKAL N 569415
114 0.03 0.02 0.00 0.04 0.06 0.02 0.03 0.09 0,06
141 0.05 0,04 0.01 0,06 0,01 0.03 0.05 0.14 0,11
113 0,84 NICOTINE 54115
84 1.11 0,90 0.22 1.35 2.09 0.74 1.23 2.70 1.92
133 0,29 0.21 0,05 0.32 0.49 0.17 0.29 0.63 0.45
114 0.79 CARBAZOLE 86748
167 3.73 2.88 0.69 4.30 6.66 2.37 3.92 9.36 6.67
115 0.91 ?.AMINOB1PHENYL 90445
368 6,19 5,11 1.20 7.65 12.18 4.61 6.67 19.13 14.17
169 12.72 9.45 2.22 14.15 22.54 7.42 12.30 35.40 2b.19
116 0.76 DIPHENYLAMINE 122394
168 1,48 1.14 0.27 1.71 2.65 0.94 1.56 3.43 2.45
169 2.79 2,15 0,52 3,22 4,99 1.77 2.93 6,45 4.60
117 0.01 DI C( 0HEXYL,AMINE 101837
56 0,33 0.37 0,06 0.39 0.63 0.21 0.35 1.10 0,78
138 0,96 0.76 0.18 1,12 1,80 0.bl 1.02 3.15 2.25
118 0.70 TRIBurYLAMINE 75645
100 0.42 0.33 0.08 0.49 0.15 0.27 0.44 0,97 0.69
142 1.53 1.18 0.28 1.77 2.74 0.97 1.61’ 3.52 2.51
119 0.92 CAFFEINE 58082
109 0,10 0,08 0.02 0,12 0.17 0.06 0.10 0.23 0.16
194 0.19 0.15 0.04 0.22 0.34 0.12 0.20 0.44 0.32
120 0.62 DIBENZYLAMINE 103491
91 1.62 1.26 0.30 1.78 2.81 1.16 1.94 3.63 2.67
197 0.13 0.11 0.03 0,15 0.24 3,10 0.16 0.30 0.22
121 0,68 N,N_DiMETHY [ D3DECYLAMlsIE 112185
58 4.72 3.88 0.87 5.41 8.83 3.58 5.99 11.09 8.16
59 0.17 0,13 0.03 0,20 0,30 0.13 0.21 0.40 0.29
122 0.90 ATRAZINE 1912249
200 2,75 2.20 0.52 3.28 5.23 1.72 2.86 8.17 6,09
215 1.67 1.34 0.31 2.00 3.18 1,05 1.74 4.97 3.71
43
-------
Intern 1/ExtetflaI Stan rd E’ile tot i pd Class $ 3
Cmpd* Recovery Co npour d Na ne
Stri *59 St $60 Std *61 Stcl *62 Std $63
Mass 110 125 82 110 2b4 — 188 • 99
110 0.01 p..NITR3ANJLINE i000lb
65 0.34 1.13 0,49 0.19 0.14 0.04 0,51
138 0.43 1.84 0.62 0.24 3,19 0.05 0.65
111 3.80 2.4_D11ETHY QUI L1I 1198374
156 0.29 0.96 0,40 0.15 0.15 3.03 0.43
157 1.46 4,69 1.93 0.74 0.71 0.15 2.09
112 0.01 1,8_DIAM1NONAPHTHANE 569415
114 0.02 0.08 0,03 0.01 0.01 0.00 0.03
141 0.04 0.12 0.05 0.02 0.01 3.00 0,55
113 0.84 NICOTINE 54115
84 0,82 2.74 1,12 0.43 0.41 3.09 1.22
133 0.19 0.64 0,26 0.10 0.10 0,02 0.29
114 0.79 ARI4 ZJLE 86148
167 2,60 8.72 3,57 1.37 1.28 3.31 4.22
115 0.91 2—AMINJB1PHENYL 90445
168 4.75 16.46 7.10 2,75 2.13 0.51 7.45
169 8.82 30.44 13.14 5.08 3.96 3.95 13.80
116 0.76 DIpHEuyuAMiN ; 122394
168 1.03 3.47 1,42 0.55 0.52 0.11 1,55
169 1.94 6.46 2.bO 1.03 0.98 3.22 2.91
117 0.01 DICYCLJ14EXTL.AM1 E 101837
56 0.25 0.81 0.33 0.14 0.09 0.03 0.38
138 0.11 2.34 0.95 0.40 0.26 3.08 1.09
118 0.70 TRI8UTYLAMI E 15649
100 0,29 0.99 0.41 0.lb 0.15 3.03 0.44
142 0,99 3.34 1.47 0,57 0,b3 0.12 1.59
119 0.92 CAFFEI 59082
109 0,07 0.23 0.09 0.04 0.04 0.01 0.10
194 0.13 0.45 0.18 0.07 0.07 3,02 0.21
120 0.62 0I8 ’NZYLAM1NE 103491
91 1.18 3,91 1.52 0.59 0.62 3.11 1.74
91 0,10 0.32 0.13 0 05 0.05 0.01 0.14
121 0.68 N,N_D1THYL0DDY AMl 112185
58 3.62 12.02 4.66 1.81 1.87 0.34 5.37
9 0,13 0.43 0.17 0.06 0.07 3.01 0,19
122 0.90 ATRAZENE 1912249
200 2.13 7.07 3.05 1.18 0.90 3.22 3.26
215 1.21 4.30 1.85 c..72 0.55 9.13 1,95
44
-------
Interna1/ xternal Standard File tot v pd Class I 3
Cmpd l Recovery Compound Name
Std I 2 StU s54 Std 156 Std a57 Std $58
Mass 109 236 136 — 82 128 98 116 84 112
123 0.U1 H P1A J0tE 110430
43 1.21 0.94 0.22 1.33 2 . 4 0.85 1.14 2.32 2.00
58 0.15 0.58 0.14 0,83 1.33 3.53 0,88 1.69 1.25
‘24 0.65 BUTOXYP.THANOL 111762
41 0,21 0.17 0.04 0.25 0.40 0.13 0.22 0.49 0,35
57 0.S5 0.42 0.10 0.63 1.33 0.35 0.58 1.27 0.91
125 0.70 2—OCTANONE 111137
43 1,30 1. 1 0,24 1.43 2.31 0.91 1.53 2,92 2.15
56 1.02 .9 0.19 1.11 1.83 3.11 1.19 2.27 1.67
126 0.61 BUTIL.PROPIONATE 59( 012
57 1.48 1.14 0.7 1.71 2.13 0.90 1.49 4.27 3.15
75 0.44 0.34 0,08 0.51 0.8 3.27 0.45 1.28 0.95
127 0.78 ISDPHDRONE 78591
82 1.77 1.36 0.33 2.04 3,17 1.13 1.86 4,11 2.9
138 0,39 0.33 0.01 0.45 0.12 3.25 0.41 0,90 0.6’
128 0.74 FENCHO’JE 1195759
69 0.66 0.51 0.12 0.12 1.17 0.47 0.78 1.47 1.08
81 1.44 1.12 0.27 1,58 2.55 1,02 1,71 3.22 2.36
129 0.75 AUPHA-TERPLNEOL, 98555
59 0.56 0.43 i.10 0.f,5 1.30 0.36 0.59 1.31 0.93
136 0,32 0.25 0.06 0.37 0.58 3.21 0.34 0.75 0.53
130 0.95 NDECAN01, 112301
41 0.40 0.31 0.07 0.46 0.14 3.25 0.42 0.92 0.bS
43 0,44 0.34 0.08 0.51 0.79 3,28 0.”6 1,02 0.73
131 0.62 c1METHyLAD1PAr b27930
59 0.56 0.45 0,10 0.64 1.03 0.41 O.6’ i.29 0,95
114 0.44 0.35 0.J8 0.49 0.79 3.32 0.54 1,00 0.14
132 0.71 METHYLSTEARATE 112b18
74 3.42 2.65 0.63 3.89 6.28 2.54 4.25 7.90 5.81
87 2.22 1.72 0,41 2.52 4.07 1.65 2.7b 5.13 3.17
133 0.64 N—DEC .NE 124185
43 1.47 1.11 0,2b 1.b7 2.66 0. 8 1.46 4,18 3.09
57 1.42 1.08 0.25 1.64 2.61 3.85 1.41 4.05 3.00
134 0.66 N—1R1DECAN 629505
43 2.18 1.64 0.34 2.48 3.95 1.30 2.16 6,20 4.5d
57 2,75 2.09 0,50 3.14 5.01 1.66 2.77 7.93 5.86
135 0.48 N—TET ADEC NE 629594
43 2.52 1.92 0.45 2.8 4.56 1.51 2.51 7.19 5.31
57 3.40 2.55 0.61 3.8’ 6.16 2.03 3.37 9.67 7,15
45
-------
1nterna1/Extern 1 Standird Pile br pd Class • 3
Cmp I Recovery 0 ound Wase
StI 159 StI 160 Std 161 Std ‘62 Std 163
Mass 110 125 82 110 264 • 188 99
123 0.03 HPPTA 0Np. 110430
43 0,88 2,91 1,13 0,44 0,47 3,08 1,30
58 0.55 1,82 0,73 0,17 0,29 0.05 0.81
124 0.65 8UT3XY THAId0L, 1311b2
41 0.35 0.49 0.20 0.09 0.07 3.02 0.22
Si 0.38 1.29 3.52 0.10 0.19 3.04 0.51
125 0.70 2—OCTANONI 111137
43 0.95 3.14 1.22 0.47 0.51 3,09 1.40
59 0.14 2.45 0,95 0.37 0.39 3.07 1.09
126 0.63 BUTYL.?RLsP1OWAT 590012
51 3.11 .3.69 1,59 0,61 0.48 3.32 1.66
75 0.33 1.11 0.48 0.19 ;‘.35 3,04 0.50
127 0,78 1S0P839(,P4E 78591
82 1.23 4.14 1.70 0.65 0.62 3,14 1,90
138 0.27 0.91 0.37 0.14 0.14 0,03 0.41
118 0,74 NCH 1 1195159
69 0.48 1.58 0.62 0.24 0.25 3.05 0.71
81 1.05 3.45 1.35 0.52 0.55 3.10 1.55
129 0.75 ALPHA—1EHPp E3L, 98555
59 0.39 1.31 0.54 0.21 3.20 3.04 0,58
136 0.23 0.76 0.31 0.12 0.11 0.03 0.34
130 0,95 N—o A 0 [ , 112331
41 0,29 0.93 0.38 0.15 0.14 3,03 0.41
43 0,31 1.63 0,42 0.16 0.15 3,03 0,46
131 0.62 D1METHYLA 1PA1t 621930
59 0.42 1.43 0.54 0.21 0.22 3.04 0.62
314 0.33 1.08 0.42 0.16 0.11 3.03 0.48
132 0.77 TIIYI 5TIARATt. .12618
14 2.59 8.56 3.32 1.29 1 .3 3.24 3.83
87 1.67 5.55 2.15 0.83 0.87 3,16 2.48
133 0.64 N—DECAN . 124185
43 1,05 3,59 1.55 0.60 0.47 3,11 1.62
51 1.01 3.48 1,50 0.58 0.46 3.11 1.58
134 0.66 W—T91D AriC 629505
43 1.56 5.3 2.30 0.89 0.10 3.17 2.41
57 1.99 6.15 2.94 1,14 0.lb 3.21 3.09
135 0.48 629594
43 1,96 6.19 2.61 1,03 3.80 3.19 2,80
57 2.50 8,33 3,57 1,39 1.08 3 .2b 3.77
46
-------
1nterna1/ xternaj Standard tile for pd Class I 3
C d$ Oecovery o pourid Pda e
Std I 2 St $54 Std $56 Std $51 Std .59
sass 109 236 136 8? 128 98 116 84 112
136 0.68 N.P NT&0ECANe 692629
51 2,78 2,14 0.52 3.22 4,99 1.71 2.94 6.47 4.b2
11 1.73 1.33 ).32 2.01 3.11 1.30 1.83 4.03 2.87
137 0.51 N.HtX DECAN€ 544Th)
43 1.90 1.45 0.34 2 .lb 3.45 1.33 1.89 5.41 3.99
51 2.72 2.08 0.49 3.1) 4,96 1.63 2.71 7.78 5.74
138 0,78 N HEPrADECA E 629787
57 3,13 2.41 0.58 3.6) 5.59 1.99 3.30 1,25 5.17
71 2.07 1.63 0.38 2,39 3.13 1.32 2.18 4.80 3.42
139 0.67 0CTADE ANE 593453
57 2.99 2.51 0.59 3.75 5,99 1.88 3.14 8.96 6.63
71 1.98 1,b6 0.39 2,48 3.95 1.25 2,08 5.9 , 4.43
140 0.63 N.NUNADE.CANE 629925
71 2.12 1.bL 0,38 2.42 3.85 1.27 2.11 b,04 4.47
85 1.42 1.08 0.25 1.61 2.51 3.85 1.41 4.03 2.98
141 0.75 d—E1C3SANE 1112958
57 4.43 3.41 0.92 5.11 7.92 2.92 4.bb 10,26 1.32
71 3.03 2.33 0.55 3.50 5.43 1.93 3.19 7.03 5.01
142 1.66 N—HF.NEICOSAt .E 629947
51 3.93 2.96 0.70 - 4.43 7.35 2.32 3,86 11.05 8.20
11 2.71 2.05 0.48 3.07 4.88 1.61 2.67 7.65 5.68
143 0.64 N—00CD5AN 629970
57 3,73 2.98 0.70 4.46 1.13 2.33 3.80 11.11 8.26
11 2,60 2.08 0,49 3.11 4.9b 1,63 2,7 7,76 5.11
144 0.65 N—1R135ANt 638615
57 3.99 3.19 0,75 4.71 7.60 2,49 4.14 11.85 8.83
71 2,80 2.24 0.53 3,35 5,34 1.75 2.91 8.3., 6.20
145 0,01 PH€NYLJ4CETAIE 122792
94 1.84 1.43 0.34 2.01 3.25 1.30 2.18 4.10 3,01
136 0.25 0.20 0.04 0.28 0.45 0.18 0.30 0.57 0.42
146 0,74 A NZYU#CETAr . 140114
91 0,52 0,43 0,09 0.57 0.92 3.37 0,67 1.15 0.85
108 1.09 0.85 0.20 1.19 1,92 3,77 1,29 2.43 1.19
147 0.01 VETHYLBENZ .NESULFUNATE
77 1,24 0.94 0.22 1.41 2.25 3,74 1.23 3.54 2.61
172 0.44 0,34 0,08 0.50 0.80 3.26 0.44 1.2b 0.93
148 0.67 MCTHYLr 0Lu t .NF.sULF0NATE
91 1.60 1.21 0.29 1.81 2.89 3.95 1.58 4,53 3.35
155 0,12 0.51 0.13 0.81 1.2 1 3.42 0.11 2,02 1.50
47
-------
Inter a1/i xternal Standard File tor 1 pd Class • 3
C! pdI Recovery compound Name
Std s59 Std $60 Std $63 Std $62 Std 163
Mass 110 125 82 110 264 — 188 — 99 —
136 0.68 N—pENrAo cAN . 692629
57 1.94 6.52 2.68 1.03 0.99 3.22 2.92
71 1.21 4.06 1.67 0,64 0.62 3.14 1.82
131 0.51 ‘ —H X.&DECANE 544163
43 1,40 4.66 2,01 0.78 0.61 2.11
57 2.01 6.70 2.88 1.12 3.87 3.03
138 0.78 N—HEprADECANE 629787
51 2.18 7.32 3,01 1.16 1.11 3.24 3.21
71 1.44 4.85 1.99 0.77 0.13 3.16 2.17
139 0.61 N.0CT D1CAN 593453
57 2,33 8.10 3,48 1.35 1.01 3.24 3,65
71 1.55 5.35 2.30 0.89 0.58 3.06 2,41
140 0.63 N— ONADEC NI 629925
71 1.51 5.27 2.24 0.87 0.68 3.16 2.35
85 1.01 3.41 1,50 0.58 0,45 0.11 1.57
143 0.15 N—EIC3SANE 111295$
57 3.08 10.35 4,25 1.63 1,57 0.35 4.63
11 2,11 7.09 2.91 1.12 1.07 3.23 3.11
142 0,66 N—H NE1CDSANE 62994?
51 2.73 9.53 4.11 1.60 1.07 3.30 4.31
11 1.89 6.60 2.85 1.10 0.74 0.21 2.99
143 0,64 N—0QCJSA 629970
51 2.89 9.60 4.14 1.60 1.22 0.30 4,35
11 2,02 6.71 2.89 1.12 0.85 3.21 3,04
144 0.65 N—TRIDSAtJE 638675 -
51 3,10 10.28 4.42 1.71 1,29 0,32 4,65
11 2.18 7.22 3.11 1.20 0,9G 0.22 3,21
145 0,01 PHLNY( AC TATE 122792
94 1.31 4.43 1.12 0,67 0,70 3,13 1.9P
136 0,18 0,62 0.24 C.09 0.10 0.02 0.28
146 0.74 BE zYLAcETArE 140114
91 0,38 1.25 0.48 0.19 0.20 3.04 0.56
108 0,19 2.63 1,02 0,40 0,41 0.07 1.11
147 0,81 uErHyLaE zENEsuLFoNATc
77 0. 1 3.04 1,31 0.51 0.40 0.09 1.38
112 0.32 1.03 0.47 0.18 0.14 3.03 0.49
148 0,67 METHYLT0L UENESULFUUATE
91 1.17 3.90 1.68 0.65 0.51 3.12 1.76
155 0,52 1.74 0,75 0.29 0,23 0,05 0.79
43
-------
Internaj/P.xternai Stand3rd File for i pd Class a 3
CrnPdl Recovery Compound Name
Std 1 2 Std 054 Std *56 Std 5l Std 058
Mass 109 236 136 — 82 128 98 116 84 112
149 1.07 DIMETHYIJPHflIA [ IArE 131113
77 0.81 0.63 0.15 0.94 1.45 0.52 0.85 1.88 1.34
163 5.29 4.07 0.98 6.10 9.46 3,36 5,56 12.22 8.71
150 0.91 ETHYLT0LUENESUtJ 0NATE
91 1.74 1,32 0.31 1.97 3.14 1.03 1.72 4.92 3.65
155 1.10 0.94 0.22 1.40 2.23 0,73 1.21 3.46 2.35
151 1.08 - DIErII LPHTHAIJArE 84b62
149 3,19 2.43 0.57 3.65 5.19 1.90 3.11 9.08 6.71
171 0.80 0,61 0.14 0.93 1.41 3.48 0,80 2.29 1.69
152 0,96 D1BUTYLPHTHALAr . 4742
57 0,29 0.23 0.05 0.31 0.52 3.19 0.31 0.68 0.48
149 7.17 5.52 1.33 8.27 12,80 4.55 7,54 16,55 11,dO
153 0.97 BUTY1JS NZ LPIIrHALSATE
91 2.09 1.62 0.38 2.28 3.69 1,48 2,48 4,64 3.41
149 3,31 2.62 0.62 3.69 5.95 2.40 4.01 7.49 5.51
154 1.02 D IETHYLHEXYLPFIFHALArE 1.17811
149 5.22 4.07 0.96 5.71 9.23 3.14 6.26 11.59 8.53
161 1.98 1,54 0,37 2.17 3.51 1,42 2.37 4.40 3.24
155 0,89 BE.NZAIJDEHYDe 100527
77 0.36 0,29 0.07 0,42 0.64 3.23 0.38 0,84 0.66
105 0.40 0.31 0.07 0.46 o.io 3.25 0.42 0.92 0.66
156 0.66 T0LUALD YDE 529201.
91 0.54 0.44 0.10 0.65 1.34 3.34 0.57 1.65 1.21
119 0.63 0.51 0.12 0.77 1.23 3.41 0.69 1.95 1.43
151 0,87 AC T0PHEWON 98862
17 0,38 0.64 0.15 0.9b 1.53 0.53 0.87 1.93 1.37
105 1.22 0,94 0.23 1.41 2.25 0.78 1.29 2.85 2.03
158 0.73 SALJCYIJAIJDEIIYDE 90028
121 0.56 0.44 0.10 0.61 0.99 0.40 0.67 1,24 0.91
122 0.60 0,4/ 0,11 0,60 1.07 0.43 0.72 . .34 0.99
159 0.72 AN1SAl 0EHYoE 123115
135 1.37 1.08 0.25 1.53 2.47 0.91 1.66 3.11 2.29
136 0.96 0.16 3 18 1.07 1.73 3,70 1.16 2.18 1.60
160 0.85 PHENoL, 108952
94 1.07 0,84 0.20 1,18 1.90 0.16 1.27 2.41 1.77
161 0.72 CRESUf 108394
107 1.21 0.93 0.23 1.40 2.25 3.80 1.29 2.91 2.08
108 1,07 0.82 0.20 1.24 1.99 0.69 1.14 2,58 1.84
49
-------
Ir%tern3l/Extern l Standard F11e for iipd Class I 3
Std 161
Std $62
td $63
264 —
188 —
99
Cmpdl
Mass
Recovery
Std $59
110 125
Compound Name
Std 160
82 110
149
11
1b3
1.07
0.51 1.83
3.68 11.87
D1M 1HYLJPHTHALAFE 131113
0,15 0.29 0.28 0,06
4.88 1.88 1,85 0,41
0.85
5.51
150
91
155
0.91
1.28 4,25
0,91 3.01
ETHYLT3LUINESULFDNATE
1.83 0.71 0,55 3 ,13
1.30 0.50 0.38 0.09
1.92
1.36
151
149
171
1,08
2.35 7,82
0,59 1.97
DIETIIYLDPHTFIALAr€ 84662
3,34 1.30 1.02 3.24
0.85 0.33 0.26 0.06
3.54
0,89
152
57
149
0,96
0.20 0.68
4,99 16.75
1BUT LPHTUALATE 84742
0.28 0.11 0.10 0.02
6.88 2.64 2.52 0.55
0.31
7,47
153
91
149
0.97
1.51 5.02
2.44 8,10
BUTYL8ENZYLPHtH L,ATE
1.95 0.76 0.78 0.14
3.15 1.22 1.26 3.23
2.24
3.62
154
149
161
1.02
4.03 12.58
1.53 4.78
0IETHYLHEXYLPHTHPd AT . 117811
4.88 1.89 1.90 0.35
1.85 0.72 0.72 3.13
5,61
2.13
155
77
105
0.89
0.25 0.84
0,28 0.93
8ENZ LDEHYDE 100527
0.35 0.13 0.13 0.03
0.38 0.15 0.14 3.03
0,39
0.42
156
91
119
0.66
0.42 1.41
0.50 1.66
TOI 1 UAL 1 DEHYDE 529204
0.61 0.14 0.15 0.05
0.72 0.28 0.22 3,05
0.64
0.75
157
77
105
0.87
0.57 1.95
0,85 2.88
CErOPHEN0NE 98862
0.80 0.31 0.29 3.06
1.19 0.45 0.43 3.09
0.87
1.29
158
121
122
0,73
0.41 1.35
0.44 1.46
SAt 4 ICYLALDEHYDE 90028
0.52 0.20 0.21 3.04
0.Sb 0.22 0.23 0,04
0,60
0.65
159
135
13e
0.72
1.01 3.36
0.11 2.36
ANISALIDEHYDE 123115
1.30 0.51 0. 3 0.09
3,91 0.35 0.37 0.07
1.50
1.05
160
94
0.85
0.75 2.60
PHENOL 108952
1.01 0.39 0.41 3.07
1,1’,
161
107
108
0.72
0.88 2.85
0.78 2.52
CRESOL 10 394
1.17 0.45 0.44 •10
1.03 0.40 0.39 0.09
1.31
1.16
50
-------
1ntern l/ xtern 1 Stand3rcl File for bpd Class I 3
Cmpd l Reccvery o pourid Nane
Std I 2 Std •54 Std 156 Std .57 Std 158
Mass 109 236 136 — 82 128 98 116 84 112
162 0.01 2,3 —D IMETHYLPHE%)b 516750
101 0.87 0,67 0 ,Ib 1.00 1.61 0.51 0.95 2.08 1.48
122 0.91 0.10 0.1, 1.05 1.64 0.58 0.9b 2,12 1.51
163 0.74 ISOPROPYbPHE.NDL.(3) 8d699
121 1.79 1.36 0.32 Z.04 3.25 1.07 1.78 5.10 3.77
136 0.07 0,56 0,12 0,75 1.19 0.39 0.65 1.87 1.38
164 0,01 0—NIT 0PUEN0L 88755
65 0.03 0.02 0.00 0.03 0.35 0,02 0.03 0.06 0.05
139 0.13 0.10 0.02 0.14 0.23 ),09 0.15 0.29 (1.21
165 0.98 4—CHL0R0.3—METHYLPHEN3L 59507
107 0.93 0.71 0.17 1.06 1.68 ).55 0.92 2.64 2.5
142 1.02 0.77 0,19 1.lb 1.84 0,61 1.01 2.89 2.14
166 0.01 4—:H JRR .so 59501 08 1570645
107 0,83 0,64 0,16 0.91 1.51 0.53 0.88 2.03 1.45
142 0.94 0.12 3.11 1.09 1.17 3.60 0.99 2.29 1.63
161 0,01 1. aPHrH0L 1 90153
115 0,35 0,26 0.06 0,38 0.61 3.20 0.34 0,96 0.72
144 0,61 0,45 0.11 0.bl 1,37 0,35 0.29 1,68 1.25
168 0.80 P—T RT—BUTYC,PHE 401. 985 4
107 0,56 0.43 0,10 0.bS 1,03 0,34 0.56 1.60 1.18
135 1.96 1.49 0,35 2,22 3.54 1.17 1.94 5.56 4.11
169 0.76 2—NITROCRESOL, 119335
17 0.26 0.23 0.05 0.30 0.46 3.07 0.21 0.60 O.4
153 0.74 0.57 0.14 0.83 1.33 9.fb 0.78 1.72 1.21
170 0.0* 2,4 —DICtILOROPrIENOL 123832
162 1.13 0.88 0.21 1.24 2.30 3,80 1.34, 2.52 1.86
164 0.72 0.53 0.13 0,18 1.27 3.51 0.85 1,bO 1,18
111 0.01 2,4.6 rP1CHL0e JPHEN0L 8806?
196 0,81 0.63 0.15 3.89 1.44 0.58 0.97 1,88 1.34
198 0.83 0.64 0,15 0.91 1.46 3,59 0.98 1.90 1.36
112 0.01 D ITTBUTYL ,4M1:.IHY1PHENOL 128370
205 2.53 1.97 0.47 2.18 4.49 1.8* 3.03 5.66 4.16
220 0.67 0,52 0.12 3.13 1.18 3.48 0.80 1.49 1.09
173 0.01 PENTAOI 0PHEN)L, 87865
264 0.29 0.22 0.05 0.34 0.54 3.19 0.31 0.12 0.52
266 0.47 0.36 0.09 0.55 0,91 0.32 0.54 1,17 0.84
174 0,7* 2—ME.THYLNAPHTHALE E 91516
141 2.03 1.58 0,38 2.23 3.60 1.44 2.42 4.53 3.34
142 2.51 1.96 J.46 2.16 4.4 1.19 2.99 5.b2 4.13
51
-------
Internal/External Standard Pile (or i pd Class $ 3
Cmpdl e overV Coi pound Name
Std .59 Std 160 Std $61 Std 162 Std *63
110 125 82 110 264 • 188 99 —
162 0.01 2,30IMETHYLPHEN3 526150
107 0,63 2.11 0,84 0.32 0.32 0.01 0.94
122 0.64 2.14 0,85 0,33 O,3 0.07 0.95
It.) 0.74 ISOPR3PYL.IHEN)L(0) 88699
121 1.28 1.39 1.90 0,13 ),S8 0.14 1.99
136 0.47 1 ,bI 0.69 0.27 0.21 3.05 0,73
164 0.01 0 —NITH3PKENOL 88755
65 0,02 0,07 0.03 0.01 0.01 0,00 0.03
139 0.09 0,31 0,12 0.05 0.05 3.01 0.14
165 0,98 4 CHL.3RU.3 —rI4YLP t . 59507
107 0 ,b6 2.26 0.98 0.38 0.30 0.07 1.03
142 0.72 2.49 1.01 0.42 0.32 3. 8 1 ,13
166 0.01 4.CHL3RORESOL S9S 7 1R 1570645
101 0,58 1.96 0,80 0,31 0 31 0.07 0.91
142 0.66 2.20 0.85 0.34 J.35 0.08 1,03
161 0.01 1.MAPHTH(JL 90153
115 0.25 0.83 0.36 0.14 0,11 0,03 0.38
144 0.44 1.45 0.bl 0.24 0.18 3.05 0,66
168 0.80 P —T .RTbUTY1’PHE 3L 9b5 4
101 0,40 1.38 0.66 0.23 0.18 0.04
135 1.44 4,79 2.04 0.80 0.63 0.15 2.16
169 0.76 2—NITRJCkE 5 )L 119335
77 0.18 0.61 0.25 0.10 0,09 3,02 0.27
153 0.52 1,74 0.71 0.27 3.26 0.06 0.78
170 0.01 2.4 —DICl1L.0ROPHE Db 120932
162 0,80 2.73 1.05 0.41 0.43 3.08 1.22
164 0.51 1.13 0,67 0.26 0,27 0.05 0,77
171 0.01 2.4,6.IRICKL .UR3PdENOL 88062
196 0.58 1.91 0,16 0.30 0,91 0.05 0.88
1 8 0,58 1.99 0.11 0.30 3.32 3,06 0,69
172 0.01 DI_TFRr.8UTY .4.METHYLPHENO 128370
205 1.85 6.13 2.31 0.92 0.96 3.1? 2.13
220 0.49 1.61 0.62 0.24 0.25 0,05 0,72
113 0.01 P€NT L0RUPH )La 8?bbS
2b4 0,20 0.68 0.28 0.11 0.11 0.02 0.31
26b 3,36 1,11 0.45 0.07 0.19 3.04 0.50
174 0.71 2.METH LNAPHTHALE 91576
141 1.43 4.91 1.90 0.74 0.17 0.14 2.19
142 1,78 6.38 2.36 0.91 0.95 3.17 2.71
52
-------
Intero l/ xterna1 btandard File for mpd Class I 3
Cinpdl
Mass
Recovery
Std u 2
109 236
Compound Name
td 054 Std 0 ,6 Std •57
136 — 82 128 98 116
Std
84
058
112
175
153
154
0.78
1.26 0.98
3,40 2.b4
eNAP TKE E 83329
0.23 1.38 2.22 0,89 1.49
0.63 3.73 6.32 2.41 4.04
2.81
1.59
2.06
5.56
176
154
0.80
2.28 1,78
81PtiI MYL 92524
0.42 2.51 4.34 1.63 2.72
5.10
3.75
171
141
156
0.71
1.59 1.24
2.30 t.7
1,8.D1 THy1. ApHrHALENE 569415
0.29 1.74 2.82 1.13 1.89
0.42 2.52 4.07 1.63 2.73
3.55
5.13
2 . 1
2.71
178
lb S
166
C.85
2.71 2,13
3.01 2.3
FL U0K NE 86731
0.49 3.01 4.85 1.95 3.27
0.5’ 3.44 5.55 2.23 3.74
6.12
6.99
4.50
5,14
179
155
170
0.74
1.06 1.44
2.56 1.99
2,3.5 TR1MErHYLNA HrHAL L 2245387
3.34 2.08 3.36 1.36 2.21
0,4. 2.86 4.62 1.86 3.11
4.24
5.83
3,12
4.29
180
178
0.01
3.21 2.41
ANTH ENI 120127
0,60 3.71 5.74 2.04 3.38
7.43
5.30
181
202
0.80
4.88 3.75
P R NE 129000
0.95 5,65 8,13 3,27 5.18
11.54
8.23
182
191
206
0,45
1.33 1.03
2.85 2.22
9,%0—DlMETHYL JJi1RAE E 781431
0,25 1.45 1.35 3.94 1,57
0.53 3.13 5.04 2.01 3.37
2.96
6,36
2.18
4,68
183
228
0.78
2.21 1.73
CHRYS . . 218019
0,41 2.42 3,92 1.59 2.66
4,91
3,61
184
252
0,54
1,60 1.23
PERYI ENE 198550
0,30 1,84 2.85 1.02 1.68
3,67
2.62
185
41
54
1.35
0.(.6 0,51
U.29 0,23
01 YkNDBUTAN . 111693
0.12 ).12 1.11 3•47 0.19
0,05 0,32 0.52 2,10 0,35
1,47
0,66
1.08
0.48
186
41
59
0,60
0,48 0.3b
0,24 0,26
BurU,C R c4A1 . 14994715
0,08 0. 4 0.8b 3,28 0.47
0.05 0.29 0.41 3.15 0.25
1,35
0.72
1.00
0.54
187
41
57
0,01
0,73 0.56
3.09 2.36
D1 3UTYLDISULFI0E 110 )b5
0.!) 0,84 1.34 0.44 0.73
0.56 3,54 5.54 1,85 3.09
2.10
8.84
1.55
6.54
188
63
0.78
1.71 1.31
8Is(2 —:Lu o1r yL)E18A 112 65
0.31 1.97 3.13 1.03 1.71
4.91
3.63
53
-------
Internal/External Stand3r File for npd Class a 3
Cm d$
Mass
ReCOYeEY
StcI $59
110 125
o pojnd Ha ne
Std 160 Std 161 Std 162
2 110 264 — l 8 •
Std
99
$63
•
175
153
154
0.18
0,92 3.04
2.48 8.22
CENAPHTHEU 8339
1.18 0.46 0.47 0.09
.3.19 1,23 1.28 0,23
1.35
3.66
116
154
3,80
1,67 5.52
BIPHENYL 92524
2.14 0,83 0.87 3.16
2.46
IF?
141
156
0,71
1.16 3.84
1.61 5.55
1,8 —01THYLINAPHTHAL N 569415
1.49 0.58 0.60 0,11
2.15 0.83 0.01 3.16
1.71
2.48
118
lbS
166
0.85
2,00 6.62
2,28 7.51
UO8EME 86737
2.51 0.99 1.04 3.19
2.93 1.14 1.19 3.21
2,95
3.38
179
155
170
0.74
1,38 4.59
1,90 6.31
2,3,5.rR1M rHyL ApHrt1AJ-.EN . 2245387
1.78 0,69 0.72 3.13
2.44 0.95 0.99 3.18
2,05
2.81
190
178
0.01
2,24 7,59
ANTHRA2EN 120127
3.08 1.19 1.13 3.25
3.35
181
202
0.80
3.59 11.47
PYRENE 129000
4.95 1.90 1.80 0.40
5.36
182
191
206
0,45
0.96 3.19
2,06 6.86
9,10—D1 ETYLA TH Al E 781431
1.24 0.48 0.50 0.09
2.61 1.0) 1.08 0,19
1.42
3.06
183
228
0.78
1.61 5.34
CHRYSENE 21d019
2.07 0.80 0.81 3.15
2,39
184
252
0.54
1.11 3.72
PERYL.ElJE 198550
1.53 0.59 0.41 0.12
1,65
1 5
41
54
1. 5
0,48 1.59
0,22 0.11
OICYANOBIJTANE 111 93
0.62 0.24 0.25 0.05
3.28 0.11 0.11 3,02
0.71
0.32
18b
41
59
0.60
0.35 1.15
0.19 0.63
BIJ [ Y [ JCARUAMATE 14994115
0.50 0.09 0.15 3.04
0,27 0.11 0.08 0,02
0.52
0,28
181
41
57
0.01
0.54 1.78
2.21 7,62
D1BuTYL,oISui .r1o 110065
0.18 0.31 0.20 0.06
3.29 1.21 1.00 3.24
0.8?
3.42
188
63
93
0.78
1.27 4.23
0.61 2.08
B1s(2.:ul . .o oEr8Yt,)f.rH#’ E 112265
1.’33 0.71 0.Sb 3,13
- 0,90 0.35 0.21 0,06
1,91
0,94
54
-------
Internal/External Standard File tor 1 pd Class I 3
Cinpdu Re:overy Conpound Name
Std I 2 Std $54 Std $56 Std .57 Std $58
Mass 109 236 136 82 128 98 116 84 112
189 0.93 TR1buryLpHos1 HArE 126738
99 4.03 3.10 0.7 4.65 7.20 2.56 4.24 9.28 6.62
155 0.88 0.6$ 0.16 1.01 1.57 0.56 0.92 2.02 1.44
190 0.01 AL.DRIN 309002
66 1.33 1,03 0.14 1,49 2.40 0.97 1.62 3,03 2.23
263 0.60 0.46 0.11 0,67 1.38 0,44 0.73 1.36 1.00
191 0.67 DIHYDR38 NZOFUR 49b16)
91 0.68 0.52 0.13 0.79 1.25 3.43 0.7? 1.58 1.13
120 0.91 0.75 0.18 1,12 1.67 0.66 0,18 2,16 1.54
192 0,86 NlTH0BEI lENE 98953
17 0.96 0.61 0.16 0.94 1.51 3.61 1.02 1 i1 1.40
123 0.54 0.42 0.10 0,59 0.95 0.38 0.64 1.20 0,88
193 0.71 BCNZ0rHIAzoI E 95169
135 1.56 1.21 0.29 1.71 2.16 1.11 1.86 3.41 2.55
194 0.01 PHENYL.ARBAMArE 102090
94 1.25 0.96 0.23 1.44 2.23 0.79 1.31 2,88 2,06
131 0.02 0.01 0.00 0.02 0.03 3.01 0.02 0.04 0.03
195 0.01 2,4—DI ITR0TQ u NI 121142
89 0.35 0,28 0.06 0.40 0.55 3.2b 0.44 0.81 0.50
165 0.71 0.53 0.13 0.15 1.21 0.46 0 .lb 1.53 1.13
196 0.84 9EN 1Y SUL F1oE 538149
91 3.55 2.68 0.63 4.00 6.39 2.10 3.49 9.99 7.12
123 0,90 0.6$ 0.16 1.02 1.62 0.53 0.89 2,54 1.89
197 0.86 DIPHENYLSUIJFD’JE 127639
125 3.82 3,44 0.81 5.16 8.21 2.71 4.51 12.95 8.65
218 0,92 0.73 0,17 1.10 1.75 0.58 0.96 2.14 2.03
198 0.93 TRlPUENYLPH0SPdAr . 115866
325 2.59 2.01 0.13 0.79 1.28 0.52 0.87 1.61 1.18
326 0.09 0.01 0.17 1.03 1.bl 3.68 1.14 2,09 1.54
199 1.12 D1PKE’ kL,M R URy 581859
77 0.72 0,56 0.48 2.85 4.59 1,96 3.28 6,08 4,41
356 0.95 0,74 0.02 0.09 0.15 0.06 0.11 0.20 0.15
200 0.94 rErRA?HENYL,T IN
197 1.40 1.13 0.27 1,70 2.11 3.89 1.47 4.21 3.13
351 1.30 1.05 3.25 1.58 2.51 3.82 1.37 3.91 2.91
201 0.63 B€ Z L ZHL,oR1DE 100447
91 1.55 1.19 0.28 1.17 2.82 3.93 1.54 4.42 3.28
126 0.42 0.32 0.08 0.48 0.16 3.25 0.42 1.20 0.89
55
-------
Irtternal/Exterrtal Stand3rd File for Tpd Class I 3
Cmpdl Recovery Coipound Name
Std $59 Std $60 Std $61 Std $62 Std $63
Mass 110 125 82 110 264 • 188 — 99
189 0.93 TR1BUTYLPH0SPHAT 12b138
99 2.81 9.43 3,87 1.49 1.41 3.31 4.19
355 0.bI 2.05 0.84 0.32 0.31 3.01 0.91
190 0.01 AL.DRIN 309002
bb 0.99 3,26 1.27 0.49 0,51 3.09 1.46
263 0.44 1.47 0.57 0.22 0.23 3.04 0.6E
191 0.67 0IHY0K0 ENZ0FUR#.N 496162
91 0.21 1.59 0.65 0.25 0.24 0.05 0.71
120 0.68 2.27 0.90 0.35 0.33 0.01 0,98
192 0.86 NlrR0 NZENE 98953
77 0,61 2,07 0.80 0.31 0.33 3.06 0.94
123 0.38 1.30 0.50 0.20 0.21 0,04 0.59
193 0.71 8ENZOrKIAZOLE 95369
135 1.14 3.76 1.46 0.51 0.59 3.11 1.68
194 0,01 PIIENYLARR MATE 102090
94 0.87 2,92 1.20 0.46 0,44 0.10 1,30
337 0,01 0.04 0,01 0.01 0.00 ‘.00 0,02
195 0.01 2,4—D1 1TP0T0LUE E 121142
9 0.27 0.88 0.34 0.13 0.14 3.03 0.39
165 0.50 1,66 0.64 0.25 0.26 0.05 0.74
196 0.84 BZYLSUL 1DE 538749
91 2,47 8.62 3.72 1.44 1.11 0.27 3.90
323 0,63 2,19 0.94 0.37 0.28 3,07 0.99
191 0.86 oIpIiENyLsuLroNE 127639
125 3,Oi) 11,09 4.77 1.85 1.22 0.35 5 .05
218 0.67 2.36 1.02 0.29 0.30 3.07 1.01
198 0.93 TR1PH NYLP 10SPrI l . 115866
325 1.98 6,58 2.55 0.95 1.03 0,18 0 ,78
326 0,06 0.22 o,oq 0.03 0,03 J,01 1.02
199 1.12 D1PHI NYL IiERCURY 581859
77 0,53 1.75 0.b8 0.26 0.26 3.05 2,94
356 0.69 2.28 0.88 0.34 0.35 3.05 0.10
200 0.94 t RAPf ENYL 1N
191 1.10 3.bb 1.51 0.bl 0.44 3.31 1,56
351 1.03 3.4) 1.46 0.57 0.41 3.11 1.54
201 0.63 B NZYL,:HLORlDE 10044?
91 1,10 3. 1 1.64 0.b4 0.50 0.12 1.71
126 0.30 1.03 0,45 0.11 0.12 0.03 0.47
56
-------
Internml/Egternal Standard File for i pd Class $ 3
C pdl Recovery Compound Name
Stu s 2 Std $54 Std 156 Std $57 Std $58
Mass 109 236 136 • 82 128 98 116 84 112
202 0.79 4—CHL K0BEI1j0N1rRJL 623030
102 0.55 0.42 0.10 0.b3 0.99 0.33 0.55 1.51 1.16
137 2,10 1.51 0.36 2.38 3.79 1.25 2.08 5,95 4.40
203 0.78 3.CHLOROBENZALDEHYD€ 537042
111 0.06 0.05 0.01 0.08 0.12 0.04 0.07 0.20 0.14
139 0.12 0.10 0.02 0.15 0.24 0.09 0.13 0.38 0.28
204 0.78 0• HL, R0ANIS0t 766518
127 0.60 0.46 0.11 0.69 1.39 0.36 0,60 1.71 1.27
142 1.32 1.00 0,24 0.50 2.43 0.79 1.31 3.76 2,78
205 0.01 CHL0R09ENZAM1D 619567
139 0,70 0,55 0.13 0.17 1.25 0.50 0.84 1,57 1.16
155 0.38 0.30 0.01 0.42 0.68 0.27 0.46 0.85 0.63
206 0.78 3,4.DIHLOROB€NZALDEHYDE 6281383
173 0.48 0.39 0.09 0.58 0.93 0.31 0.57 1.46 1.07
174 0.32 0.26 0.06 0.39 0.62 0.21 0.34 0.98 0.72
207 0,73 1,2,4.TR1CH 0RJBEN1EI E 1?0821
145 0.34 0,26 0.06 0.40 0.63 0.2i 0.36 0.80 0.57
180 1.30 1.00 0.24 1.50 2,40 0,83 1.37 3.03 2,16
208 0.01 2— iR0 D—1—CI3RD8I NzE. E 694 04
190 0.78 0.61 0.14 0.85 1.38 3.55 0.92 1.74 1.28
192 1.04 0.81 0.19 1.14 1,94 0.74 1.24 2,33 1.11
209 0,77 1.2—D1:HL.ORoNAPHruALE 2050593
161 0,44 0,34 0.08 0.50 0.78 0.28 0.46 1.01 0,12
196 2.17 1.67 0.40 4.51 3.88 1.38 2.29 5.03 3.58
210 0.69 1,2,4,5—TF TRAL0ROBl NE 95943
214 1.19 0.90 0.22 1.29 2.09 0.84 1.40, 2.63 1.94
216 1.34 1.18 0.28 1.69 2.72 1.09 1.83 3.43 2.52
211 0,80 P—D1BR0’IOBENZENE 10637b
234 0,68 0,52 0.12 0.17 1.23 0.41 0.67 1.93 1.43
236 1,29 1.00 0.23 1.48 2.36 0.78 1.30 3,77 2.93
212 0,80 4—BR0M3D1PHENYt EFIIER
248 1.08 0.81 0.20 1.19 1.92 0.77 1.29 2.42 1.78
250 1,13 0.88 3.21 1,2b 2.34 3,82 1.31 2,57 1.89
213 0.01 HEXACHLOROBeNZEN€ 118741
284 0.74 0.56 0.13 0.84 1.34 0.44 0.73 2.10 1.55
286 0.60 0.46 0.11 0.58 1.08 0.36 0.59 1.70 1.26
214 0.58 PYRIDLNE 110851
52 0.29 0.22 0.05 0.33 0.51 3.19 0.32 0.67 0,48
79 0.44 0.34 0,08 0.51 0.78 3.30 0.50 1.10 0.79
57
-------
Internal/External Standard File for mpd Class i 3
Cmpdl Recovery Cornpo nd Name
Std $59 Std $60 Std 161 Std $62 Std $63
Mass 110 125 82 110 264 — 188 — 99 —
202 0.79 4—CHLOROBENZONLrP ILE 523030
102 0.39 1.35 0.58 0.23 0.18 0.04 0.61
137 1.49 5.12 2.21 0.85 0.61 0. Ib 2.32
203 0.78 3. HI 1R0BENZALDEH DE 587042
111 0,05 0.17 0.07 0.03 0.02 0.00 0.0 ,
139 0.10 0.32 0,14 0.05 3.04 0.01 0.15
204 0.78 CiiLDKOANISOLE 766518
127 0.43 1,48 0.64 0.25 0.11 0.05 0.67
142 0.94 3.24 1.40 0.54 0.36 0.10 1.46
205 0.01 CHI )RJB .NZAM1DE b1956?
39 0.51 1,70 0,66 0.26 0.21 0.05 0.76
155 0.28 0.92 0,36 0.14 0.15 3,03 0.41
206 0.78 3,4 —D1HL0R0BE ,ZALDEHYDE 6287383
17 0.37 1.25 0.54 0.21 0.17 0.04 0.57
174 0. 5 0,84 0.36 0.14 0.11 0.03 0.38
207 0.73 1,2,4.rR1cH op)8ENZ. NE 120821
145 0.24 0.80 0.33 0.13 0.12 0.03 0,36
180 0.89 3.05 1.25 0.48 3.46 3.10 1.36
208 0.01 2_BR0 01CHLDI 3BEMZENE 694834
190 0.57 1.88 0.13 0.28 0.30 0.05 0.84
192 0.76 2.52 0.98 0.38 0.40 0,07 1.12
209 0.77 1,2 —DiCHLoRoN pHrHALENE 2053693
161 0.31 1.02 0.42 0.16 0.15 0.03 0.46
196 1.52 5,08 ?.08 0.80 0 .lb 3.17 2.27
210 0.b9 1,2,4,5T .TRAFthDR08 NZE 5943
214 0.86 2.85 1.11 0.43 0.45 3.08 1.27
216 1.12 3.12 1.44 0.56 0.58 0.1) 1.66
211 0.80 P.DIBS3MOBENZENE 106316
234 0.49 1.66 0.72 0.28 0,19 0.05 0.75
236 0.93 3.19 1.38 0.53 0.45 0.10 1.45
212 0.80 4 —8R0M0DIPHENYLErHEI
248 0.79 2.61 1.0) 0.39 0.41 0,07 1.17
250 0.84 2.78 1.08 0.42 0.44 0.08 1.24
213 0.01 HEXACHLDRUB ZENE 1)9741
284 0.53 1.83 0.78 0.30 0.24 0.05 0.82
286 0.43 l 46 0.63 0.24 0.19 0.05 0.66
214 0.58 PYRICINE 110861
52 0.20 0.68 0.28 0.11 0.10 0.02 0.30
79 0.33 1.11 0.42 0.16 0.11 0.04 0.50
58
-------
Intern 1/E terna1 Standard Vile tor i pd Class $ 3
Cmpds Recovery onpound Name
Std $ 2 $t $54 Std $56 Std $51 Std $58
Mass 109 236 136 — 82 128 98 116 84 112
215 0.66 AIJPI1A PICUL.1NE 109068
66 0.26 0.20 0,05 0.30 0.46 3.16 0.27 0.59 0,42
93 0,66 0.51 0.12 0,7o 1.28 3.40 0.bb 1.52 1.09
216 0.84 ANILIINE 62533
66 0,23 0.19 0.04 0.28 0.41 3.35 0.24 0.53 0,38
93 0.76 0,54 0.13 0.81 1,25 3.45 0.14 1.62 1.15
217 0.57 L.UTIDINE 108485
106 0.13 0.10 0.02 0.15 0 . 5 0.08 0.33 0.39 0.28
107 0.22 0.16 0,04 0.24 0.39 0.13 0.21 0.61 0.45
218 0.01 TOLUIDINE 106490
106 0.89 0.69 0.16 0.97 1.57 0.64 1.07 3.97 1.45
107 0.11 0.56 0.13 0.18 1.27 0.52 0,86 1,58 1.16
219 0.86 1 L)0L E 120729
90 0.72 0.54 0.13 0.82 1.30 0.43 0.71 2.04 1.51
117 1,92 1.45 0,34 2.17 3.46 1.14 1.89 5.43 4.02
220 0.82 2,3,b —TR1METHYLPYR1DIN 146284b
120 0.66 0.51 0.12 0.76 1.18 3.42 0.69 1,53 1.09
121 0.90 0,69 0.17 1.03 1.63 3.55 0.91 2.08 1.49
221 0.72 2,6—D1THyLA nLl 1300738
106 0.36 0.27 0,06 0.41 0,65 0.21 0.36 1,02 0.75
121 0.57 0.44 0.10 0.bb 1 ,34 0.34 0.51 1,64 1.21
222 0.88 M— tiL.0R0ANIL1N 108429
127 1.09 0.84 0.20 1.26 1.94 0.69 1.15 2.52 1.79
129 0.34 0.26 0,06 0.29 0.60 0.22 0,36 0.78 0.56
223 9.77 QUlN0Llr E 91225
129 1.82 1.41 0.34 1.99 3.22 1.30 2.17 4,06 2.98
59
-------
Inhernhl/kxLernll Standu File for pd Class I 3
C pds Recovery Co pound Nate
Std 159 St3 160 Std 161 Std 162 Std 163
Ma,. *10 *25 82 1*0 264 • 189 • 99
215 0.66 ALPKA.PICOLINE 109068
66 0.19 0.63 0.25 0,09 0.09 3.02 0.27
93 0,4b 1,54 0.63 0.24 3.23 3.05 0.69
216 0,94 AU1L1 1 62533
66 0,17 0,56 0.22 0.09 0.38 3.02 0.24
93 0.49 1.64 U,bl 0.26 0.24 0.05 0.73
217 0.57 L,UTLOINI 108495
106 0.10 0.3) 0.14 0.05 0.04 0.01 0.15
107 0,16 0.52 3.13 0.09 0.06 3,02 0.24
218 0.0* TJLUIDLP,E 106490
106 0.65 2.15 0.8) 0.32 0.32 D ,Ob 0.96
107 0.52 1.71 0.67 0.26 0.26 0.05 0.77
219 0.9 I DDL I 120729
90 0,5* 1,75 0,76 0.29 0,23 3.05 0,79
117 1.40 4.68 2.02 0.78 0.bI 3.15 2,12
220 0.97 2.3,b—TR!MLTHYLPYP101NC 14L,2846
120 0.46 1.51 0,bJ 0,24 3.13 3,05 0,61
121 0.62 2.13 0,86 0,33 0.32 0.07 0.94
221 0.77 l,b.U1 1NYLA41L 1 1303738
106 0.26 0.88 0,38 0.15 0.11 3,0) 0.40
121 0,42 1,41 3,61 0.24 0.18 3.04 0.64
222 0.98 M. HL R0ANILI 108429
127 0,76 2.55 1.05 0.40 3.31 3.98 1,14
129 0.24 0.19 0.fl 0.13 0.12 0.0) 0.35
223 0.77 OUIMOLINE 91225
129 1.33 4.40 1.70 0.tb 0.69 7,12 1.96
60
-------
Table 8-4. RMRs AND RECOVERIES FOR ABN COMPOUNDS
(BLLE, pH 8.0/FRACTION NO. 1)
Class No. 4
Standard ID No.
2
4_Fluoro_2_lOdOtOlUefle (external)
54
d 8 -Naphthalefle (internal)
(internal)
56
d 5 -Nitrobenzefle
( nter4al)
57
d 10 -oXyleDC
(internal)
58
d 5 -PhenylethaflOl
(internal)
59
d 5 -AcetopheflOfle
(internal)
60
d 5 -PropiopbeuOfle
(internal)
61
d 12 -Perylene
(interAal)
62
d 9 -Acridine
(internal)
63
d 5 -Phenol
61
-------
C—
_____ ________ PIA1RIX or SIANDARD ION R tRs
SI md ird
4 9 .NapAt8aI.iw
Ion l.cn..ry ./i 99
d 3 .Phenul 0 i,n,
.Ii 9$ S/ i It O 3/ I (36 u/i I? . /. U i s/i Si . i ta
d N,IroI,,ni,ns d 9 .PIiq yt,thsnoI
d 5 -ph.nc l
d 10 .o. iyt mn.
99
91
116
NA
0 49
0 46
.
I.71(9)
I 03(a)
.39 19 1
60(0)
99(9)
1. 6 1 ( 1)
•
. 17 (6)
.2 9 ( 6)
1 1 (6)
I
I
I
C I(I)
79(5)
0 1( l)
I 66(3)
2 SI(S)
I ll (S)
1. 1 1( 15)
I 71(U)
2 33(22 )
$ 731$))
0 1( 1 1)
I 5 1(11)
4 1 . i iiplitha l,n.
116
NA
3.97(1)
3.3 1(7)
3.53(7)
6
21(3)
6 99(3)
(4 63(I ))
tO 39(11)
d • l(iObiñi,ci
S
4 .ph,n1I.t8.iiol
I l
$2 5
IS
It)
NA
‘ IA
NA
NA
91(4)
6 ( U)
.42 (I ))
3 5( 13)
37 1 10)
3 ’.19p
23(24)
3 (:z)
93( 10)
.39(9)
.42(24)
3 5 ( 23)
. 6(3)
. 10 ( 1)
V.,,
40(I I3
.098(1 5)
.
6 3(I)
44116)
.6 1( 11,)
I 6 0 (I)
.
.70(13)
93(16)
2 33(17)
I 47(16)
.
I 39(2)
I 70(16)
I 0 1 (I ))
.73(2)
•
d .prp (69h. iwin.
S
5)
$Q
‘ IA
I 09(4k
2 53 (5)
OS (S ))
I 67(13)
I 07(14)
2.75(14)
. 1 5 ( 1)
.4 5 1 ) 7)
I
2
(3 (6)
9 5(6)
I SIlO)
4 72 (6)
7 63(11)
6 ho))
I 90(10)
I 95(t ))
4 ..c,ioph.nore
9
d 12 .p.r I.m.
d 9 .sc, ldI m.
(ID
Il )
261
I I I
NA
NA
54*
NA
I 57(2)
46( 2)
3 36( I ))
1.13(7)
90(7)
.27( 9)
2 09(7)
16(13)
I.30 ( 5j
.43 ,7)
3 4s (i)
I 43(I ))
7 5 ( 9)
6 (3)
D .,’
.60(9)
. 1 4 ( 5)
I
3
I
1 ,0(3)
4 5(3)
70(11)
51(o)
2 33(I)
.76(4)
5 90(12)
2 40(6)
3 71(17)
I 11(15)
I 32(25)
3 32 ( 13)
1.61(10)
II I ) ?)
6.37(25)
.3S( 13)
4•fIuoro.1 .todotoI .n.
$09
136
‘ IA
NA
I 10(4)
I 43(4)
63(7)
54(6)
1.05 ( 1)
I 39(1)
I I I ))
71(6)
1 . 11 (2)
I 15(3)
I 52(2)
7 37(3)
7 69(11)
3 41(11)
I 7(l9)
2.52(11)
( ontinued)
-------
$2
lb
d 5 .P,op lo bhlfl 1 11
Coupo w Id mu $ co Cr? ez alt 110
d 1 1 .PrryIrn•
d 9 -Ac, )dln,
1.9l,oro.2.lodobotii l*S
d 6 .Ac to l .IIbOm
rn/ i 110 .11 iz
•/ ‘ii
.F III
•I 109 •I 236
0’
4-. ’
d 3 .phenoI
4 10 .o.ayI,n s
99
99
RIb
MA
0 lb
0 lb
.92(S)
I.S9( 12)
93( 13)
‘s (S)
7(I3)
.37111)
67(2)
1. 13(7)
67(63
3 91(4)
2 2113)
3.77(7
2.27(7)
(3 1113)
I
3( 11 5)
33(10)
32(10)
76( 13)
I 20(13)
.72( 19)
420(9)
I So(6)
99(6)
3 43 ( I)
1.2 1 1 6)
.73(61
4.20 ( l)
d, .naphtP sI.ne
d 3 . u ub,obenzenl
136
$2
NA
U
MA
5. 5 1(9)
.19(b)
.3 3(6)
2. 13(9)
3 1 (b)
.‘: Iol
63(1)
.39( 1 1
19116)
2 12(4 1
i 3:UI
93(12)
22( 19)
1 11.0)
1 3U9)
67(6)
42(
.29(11)
.99(2)
•SS (3)
.31119)
.69(3)
4 2(3 )
.30(17)
d 3 .pP l n,l•t6a1P )
•
Ill
NA
MA
.39(11)
.33(101
15(101
71191
.31116)
.7)17)
1. 2 9 ( 1 6)
2.1016)
I 9(.’9)
.33(23)
4 1(13)
76(3)
.31119)
I 00(7)
.42(16)
.71(7)
d 3 .poplopl ’enon
110
U
MA
NA
NP.
.
2.60(I)
3 11(o)
.12( 6)
.
.SS(6)
tb(S)
I 9.16)
.
.31)12)
6 21(b)
3. 39 (I)
.
7 91( 12)
S7( 19 1
171 141
14( 19 )
.
2 00(3)
I 10(9)
37(9)
2 30(16)
2 39(7)
1 57(4)
42(2)
3 21(9)
I 99(7)
I 07(2)
.32(3)
2.31(9)
4 12 .p.r I.n.
4 9 •scrtdlns
4.fluoro.2.bOd03 0lu.f ..
-n
264
236
MA
NA
MA
NA
3.09(14)
3.35 (3)
1.01(7)
1.3 1( 1)
-r v-wn
1.27(16)
32( 3)
.39(7)
3 1 (7)
.931 )0)
.7 1(2)
92(3)
r-t-n-rt -.
3. 1 5( 1 1)
2 4 3(2)
3. 1 1(2)
.--ca• -. - .-
39(10)
34( 11)
.421(b)
•
. 7 8( 9)
I 00(9)
. -- -a — -,
•
I 30(I)
(.05(9)
.77(I)
•
3 (CV).
-------
Internal/External Standard File tor 1 pd Class $ 4
Cmpds Recovery ornpound Name
Std $ 2 St $54 Std $56 Std $57 Std $58
Mass 109 236 136 — 82 128 98 116 84 112
100 0.51 N—TR IDECANE 629505
43 2.18 1.64 0.34 2.48 3.95 3,30 2.16 6.20 4.58
57 2,75 2.09 0.50 4.14 5,01 1.66 2.77 7.93 5.86
101 0.45 M.TLTRAOI.CANC 629594
43 2.52 1.92 0.45 2.88 4.58 1.51 2.51 7.19 5.31
51 3.40 2.55 0.61 3.87 6.16 2.03 3.37 9,67 7,15
102 0.62 N—PENrADECA’ E 692529
57 2,78 2.14 0.52 s.22 4.99 1,77 2 94 6.47 4.62
71 1.73 1.33 0.32 2.01 3.11 1.10 1.83 4.03 2.87
103 0.51 —IIEX DCCANE 5441b3
43 1.90 1.45 0,34 2.16 3 . 5 1.13 1.89 5.41 3.99
57 2.72 2.08 0,49 3.11 4.96 1.63 2.11 7.78 5.14
104 0.77 N—P4 PTADECANe 629781
57 3.13 2.41 0,58 3.61 5.59 1.99 3.30 7.25 5.17
71 2.07 1.63 0.38 2.39 3.73 1.32 2.18 4.80 3.42
105 0.66 N—0CTADCCA E 593453
51 2,99 2.51 0,59 3,75 ,9b 1.88 3.14 8.96 6.63
71 1,98 1.66 0.39 2.4 i 3.95 1.25 2.08 5.95 4.41
lOb 0,65 N—NONADECANE 629915
71 2.12 1,61 0.38 2.42 3.83 1.27 2.11 6,04 4.41
85 1.42 1.08 0,25 1.61 2.57 3.85 1.41 4.03 2.98
107 0.82 N—EICJSAME 1112958
57 4.43 3.41 0.82 5.11 7.92 2.82 4.bh 10.26 7.32
71 3,03 2.33 0.56 3.50 5.43 1.93 3.19 7,03 5.01
108 0.65 t —11ENEIC3SANE 629947
51 3.93 2.96 0.70 4.43 1.35 2.32 3.86 11,L5 8.20
71 2.71 2.05 0,48 3,01 4.B 1.61 4.67 7.65 !.bB
109 0.59 N—DDC)SANE 629910
51 3.73 2.98 0.70 4.4t 7.13 2.33 3.88 11.11 8.26
71 2,60 2.08 0,49 3.11 4.95 1.63 2.70 1.75 5,77
110 0.58 —r1310SAN . biSblS
51 3.99 3.19 0,75 4.77 7.b3 2.49 4.14 13.85 8,83
71 2,80 2.24 0.53 3.35 5.34 1.75 2.91 8.33 6.20
111 0.48 2—METHyLNAph4rHALEN 91576
141 2.03 1.58 0.38 2.23 3.63 1.44 2.42 4.53 3.34
142 2.51 3.96 0,46 2.lb 4.45 1.79 i.99 5.62 4.13
112 0.50 A ENAPHTNEN1 83329
153 1.26 0.98 0.23 1.313 2.22 0.89 l.49 2.81 2.06
154 3.40 2.64 0,63 3.13 6.32 4.41 4.34 7.59 5.58
64
-------
Internal/External Standard File tor 1 pd Class $ 4
Cmpdl Recovery Co tpound Name
Std 059 St ObO Stø *61 Std $62 Std .63
Mass 110 125 82 110 264 — 188 99 —
100 0,51 N —TR DECANE 62 505
43 1,56 5,33 2,30 0.89 0.70 3.17 2,4 1
57 1.99 6.75 2.94 1.14 0,16 0.21 3.09
10% 0.45 N.T TPA0ECANE 629594
43 1.86 6.19 2.b7 1.03 0.80 0.19 2.80
57 2.50 8,33 3.51 1.39 1.08 3.26 3.77
102 0.62 1—P€NTADECANE 692629
57 1.94 6.52 2.68 1.03 3, 9 .22 2.92
71 1.21 4.06 l.bl 0.b4 0.62 3.14 1.82
103 0.5* N—H XAPE ANE 544163
43 1,40 4.66 2.01 0.7S 0.&l 3.15 2.11
51 2,01 6.73 2.88 1.12 3.87 3.21 3.03
104 0,77 N—HEPTADECANE 629787
51 7,19 7.32 3.01 1.16 1.11 3.24 3,27
71 1.44 4.85 1.99 0,77 0.73 0.16 2.11
105 0.66 N. 3CTAD CANE 593453
57 2,33 8,10 3.48 1.35 1.01 3.24 3.65
71 1.55 5.35 2.30 0.89 0.58 3.06 2.41
106 0.65 —N0 dAD CANE 629925
71 1.51 5.27 2.24 0.87 0.b8 3.16 2.35
85 1.01 3,47 1.50 0.58 0.45 3,11 1.51
107 0.82 N—E1C SANI 1112958
57 3,08 10.35 4.25 1.63 1.51 0.35 4,63
11 2.11 7.09 2.91 1.12 1.01 3.23 3.17
108 0.65 N—HLNEICDSAf b29941
57 2.73 9,53 4.11 1.60 1.07 3.30 4.31
11 1.89 6.63 2.85 1.10 0,i% 3,21 2,99
109 0.59 —D0 ’3SANL 629 70
57 2.89 9.63 4.14 1.60 1.22 0.30 4.35
71 2.02 6.71 z,89 1.12 0.85 3.11 3•04
110 0.5 1 1 ? —T8J3SANE 6311675
57 3.10 10.29 4.42 1.71 1.29 0.32 4 ,65
71 2.18 7,22 3.11 1.20 0.90 3.22 3.27
111 0,48 2—M r yLNAPHTH#LE ’ E 91576
*41 1.48 4.91 1.90 0.74 0.71 3,14 ? .19
147 1,78 6.09 2.36 0.91 3.95 7.17 2,71
112 0.50 AENAPHTHEN 83329
153 0.92 3,04 1.18 0.46 0.47 0.09 1.35
154 2.48 8.22 3.19 1.23 1.28 3.23 3.b6
65
-------
Internal/External Standard File tot xipd Class $ 4
CmPd$ Recovery Co pcJnd Name
Std I 2 St’d $54 Std 156 St 151 Std $58
Mass 109 236 136 — 82 129 98 116 84 112
113 0.01 8IPHEN IJ 92524
154 2.28 1.18 0.42 2.51 4.34 1.63 2.72 5.10 3.75
UI 0.48 1.8 —o1M THYL,pJAP srHAL.E.NE 569415
141 1.59 1.24 0,29 3.14 2.82 1.13 1.89 3.55 2.61
156 2.30 1.79 0,42 2.52 4.01 3.63 2.13 5.13 3.17
115 0,57 DI—T—9uTYLD1sULF10 110365
41 0.73 0,56 0.13 0.84 1.34 3.44 0.1’ 1.10 3.55
57 3.09 2.36 0.56 3.54 5.64 1.85 3 ,tJ9 6.144 6.54
116 0.96 ALIDRIN 309002
66 1.33 1.03 0.24 1.49 2.40 3,97 1.62 3.03 2.23
263 0.60 0,46 0,11 ,61 1.08 3.44 0.13 1,36 1.00
111 0.01 PYRLDP E 110861
52 0.29 0.22 0.05 3.33 0.51 3.19 0.32 0.67 0,48
79 0.44 0.34 0.08 0,51 0.18 3.30 0.50 1.1(’ (1.18
116 0.01 ALIPHA—PICOLIINE 109068
66 0.26 0.20 0.05 0.30 0.46 0.16 0.27 0.59 0.42
93 0.66 0.51 3.12 0.76 1.18 3.40 0.66 1.52 1.39
119 0.01 ANILINE 62533
66 0.23 0.19 0.34 3.28 0.41 3.15 0.24 0.53 0.38
93 0.16 0,54 0,13 0,81 1.25 3.45 0.14 1.b2 1.15
120 0.01 LIU I0INE 108485
lOb 0.13 0.10 0.02 0.15 0.25 0.08 0.13 0.39 0.28
101 0.22 .16 0.04 0.24 0.39 3.13 0.21 0.61 0.45
121 0.01 T JL UlDIME 106490
lOb 0.99 0.61 0.16 0.97 1.51 0.64 1.07 1.97 1.45
107 0.71 0.56 0.13 0.78 1,21 0.51 0.86 1.58 1.36
‘22 0.01 I’ D0bE 120729
90 0.72 0.54 0.13 0.82 1.30 3.43 0.13 2.04 1.51
117 1,92 1,45 0.34 2.17 3.46 1.14 1.89 5,43 4.32
123 0.01 2.3,b —FRIMEIHYLPY lD1NE 1462846
120 0.66 0.51 0.12 0.7b 1.13 3.42 0.69 1.53 1.09
121 0.90 0.69 0.17 1.03 1.61 3.55 0.91 2.06 1.49
124 0.01 2,6—DlM€THYbA dIL 1 E 1303738
106 0.36 0.27 0.06 0.41 0.65 3.21 0.36 1.02 0.75
121 0.5 0.44 0.10 3.6( 1.04 3.34 0,51 1,64 1.2)
125 0.01 M—HUOR3ANIL1 108429
121 1.09 0,84 0.20 1.26 1.94 0.69 1.15 2,52 1.19
129 0.34 0.25 0.06 3.29 0.60 0.22 0.36 0.78 0.56
66
-------
Internjl/€xternal Standard 1 lIe for i pd Class I 4
Cmpd l Recovery Coi po nd Na me
Std 159 st i60 Std $61 Std .62 sto .63
Nass 110 125 82 110 264 • 188 — —
113 0.31 BIPKENIL 1 92524
154 1.67 5.52 2,14 0.83 0.87 3.16 2.46
114 0.48 l.8—01M THYLN PKIHAL,LNE 569415
141 1.16 3,84 1.49 0,58 0.60 0.11 1,71
156 1.61 5.55 2.15 0.83 0.87 0.16 2.48
115 0.57 DI—T—BUTYLD1SUL F1D 110065
41 0.54 1.78 0.18 0.31 0.20 3.06 0.82
57 2.21 7.62 3.29 1.27 1.00 3.24 3.42
116 0.96 ALDRIN 309002
66 0.99 3.28 1.21 0.49 0.51 0.09 1,46
2b3 0.44 1.41 0.51 0.22 0.13 0.04 0,66
117 0.01 PYRIDIME 110861
52 0.20 0.68 0.28 0.1 3.10 0.02 0.30
79 0.3) 1,11 0.42 j.l6 0.17 3.04 0,50
118 0.01 ALIPHA-PICO [ ,INE 1090b8
b6 0,18 0,bO 0,25 0,09 0,09 0.02 0,27
93 0.46 1,54 0.63 0.24 3.23 3,05 0.69
319 0.01 A 1L,1NE b2533
66 0.17 0.56 0.22 0.09 3.08 3.02 0,24
93 0.49 1,64 0,b7 0.26 0.24 0.05 0.73
120 0.01 LUTIDINE 106485
0 0,10 0,33 0.14 0.05 0.04 3.01 v.15
101 0.Ib 0,52 0.23 0.09 0.36 3.0? 0.24
1 ?1 0,01 T3L. JtDINE 106490
106 0.f.5 2.15 0.83 0.32 0.32 3.06 0.96
107 0.52 1,73 0.61 0.26 0. b 0.05 0.77
122 0.01 !UDOLE 12i. 1 29
90 0,51 1.75 0.76 0.29 0.23 3.35 0.79
111 1.40 4.6 2.02 0,78 3. .’. 3.35 2.12
123 0,03 2,3,b—rR1M rH LPY 1D1% 14h284h
120 0,46 1.54 0.63 0.24 3.23 3.05 0.67
121 0,62 2.10 0.86 0.33 0,32 .?.07 0,94
124 0,01 2,6—DI EtHY1,ANLL1 J 1330738
106 0.26 0,88 0.38 0,15 D ell ,O3 0.40
121 0.42 1.41 0.bl 0.24 0.18 3.04 0.64
125 0,01 M—HL.JROAN1L1 & 108429
121 0,76 2.55 1.05 0.40 0.38 3.98 1.14
129 0,24 0,79 0,33 0,13 0.12 0,03 0.35
67
-------
Integna1/Extern l Stanlard File for pd Class $ 4
Cmpdl Recovery Coiipou ci Name
Std I 2 Std 154 Std $56 Std $51 Std $58
Mass 109 236 136 — 82 128 98 116 84 112
126 0.01 QIJINOIdNE 91225
129 1.82 1.41 0.34 1.99 3.22 1.30 2.17 4.06 2.98
127 0.01 P•NZTR3AN1IJINE 100016
65 0.44 0.35 0,08 0.52 0,83 0.21 0.46 1.30 0.97
138 0,56 0.45 0.11 0.67 1.07 0.35 0.58 1,6b 0.22
128 0,0J 2 , 4 —D1fHQUL 1N 1196314
156 0.41 0,32 0.08 0.41 0.75 3.26 0.43 0,95 0.68
157 2.01 1.54 0.31 2.31 3.59 1.21 1.11 4,64 3.31
129 0.01 l.S—DLAMINo Ap r8ALLN 569415
114 0,03 0.02 0.00 0 .0 0.06 0.02 0,03 0.09 0.06
141 0.05 0.04 0.01 0,Ob 0,31 3.03 Q.05 0,14 0.11
130 0.01 NIC0Tl E 54U5
84 1.17 0,90 0.22 1.35 2.39 3.74 1.23 2,70 1.92
133 0.28 0.21 0.05 0.32 0.49 3,17 0.29 0,63 0,45
131 0.01 CARI3AZDLE 86748
161 3,73 2.88 0.69 4.30 6.66 2.37 3.92 9.36 6.67
1)2 0.01 2 —AM! BIPH Nfl. 90445
168 6.19 5.11 1.20 1.65 12.18 4.61 b,b7 19.13 14.11
169 12,72 9.45 2.22 14.15 22.54 7.42 12.30 35.40 26.19
133 0.01 DIPHE Y1JAMINE 122394
168 1,4 1.14 0.21 1.71 2.65 3.94 1.56 3.43 2,45
169 2,79 2.15 0,52 3.22 4.99 1.17 2.93 6.45 4.60
334 0.01 D1 YCL,)H XYLAM1PIF 122394
5b 0,33 0.31 0.06 0.39 0.63 0.21 0,35 1.10 0,18
138 0.96 0.76 0.18 1.12 1.83 3.61 1.02 3.15 2.25
135 0.01 TRIHUrILAH INC 102629
100 0.42 0.33 0.08 0.49 0,75 3,27 0.44 0.97 0,69
142 1.53 1.18 0,28 1.77 2.14 0.97 1.61 3.5? 2.51
136 0.01 CA F INE 58082
109 0,10 0.08 0.02 0.12 0.17 0.06 0,10 0,23 0.16
194 0.19 0.15 0.04 0.?2 0.34 3.12 0.20 0.44 0,32
137 0,01 DIBENZYLAM1P 103491
91 1.62 1.26 0.30 1,1; 2.87 1.lb 1.94 3,63 2.67
191 0,13 0.11 0,03 0.15 0.24 0.10 0.16 0.30 0.22
138 0,01 112185
56 4.72 3,88 0,81 5.41 3.s 5.99 11,09 8.16
59 0.17 0.1 0.03 0.20 0,33 3,13 0,21 0.40 0.29
139 0,01 ATRAZI, df 1912249
200 2.75 2.23 0.52 3.28 5.23 1.72 2.Hb 6.17 6.09
215 1.67 1.34 0,31 2.00 3.18 1.05 1.74 4.97 3.71
63
-------
Interr 31/Exterr1a1 Standard File for pd Class •
Std
$61
Std
$62
Std
163
264
•
188
—
99
•
CmPdl
Mass
Recovery
Std $59
110 125
Compound Name
Std $60
82 110
126
129
0.01
1.33 4.40
0UIN01J1N 91225
1.70 0.66 0.69 0.12
1.96
127
65
138
0.01
0.34 1 .1
0.43 1.84
P—NITROANILINE 100016
0.49 0.19 0.14 0.04
0.62 0.24 0.19 0.05
0.53
0.65
128
156
157
0.01
0.29 0,96
1.46 4.69
2,4 DlMETI1YLQUIN3 [ iINE 1198374
0.40 0.15 0.15 0.03
1,93 0.74 0.71 0.15
0.43
2.09
129
114
141
0.0*
0.02 0.08
0.04 0.12
1,8—D1AM1NDNAPi1TRALEN 569415
0.03 0.01 0.01 0.00
0,05 0.02 0.01 3.00
0.03
0.55
130
84
133
0.01
0.82 2.74
0.19 0.64
N1C0T1N 54115
1.12 0.43 0.41 0.09
0.26 0.10 0.10 0.02
1.22
0.29
131
167
0.01
2,60 8.72
CAPBAZOLC 86748
3.51 1.31 1.28 0.31
4.22
132
168
169
0.01
4.75 16.4b
8.82 30.44
2—AMHOBIPHENYL, 90445
1.10 2.15 2.13 0.51
13.14 5,08 3,96 3,95
7.45
13,80
133
168
169
0.01
1.03 3.47
1.94 6.46
DIPHEMYLAM1NE 122394
1.42 0.55 0.52 0.11
2.68 1.03 0.98 3.22
1.55
2.93
134
56
138
0,01
0.25 0.81
0.71 2.34
D1YCL BEXYL,AMINE 122394
0.33 0.14 0.09 0.03
0.95 0.40 0.26 3.08
0,3 4
1.09
135
100
142
0,01
0.29 0.99
0.99 3.34
TRIHU YLAMINE 102829
0.41 0.16 0.15 0.03
1.47 0.57 0.53 0.12
0.44
1.59
136
109
194
0.01
0.07 0.23
0,13 0.45
CAFF 1N 58082
0.09 0,04 0.04 0.01
0.18 0.07 0.07 3.02
0.10
0.21
137
91
191
0.01
1.18 3.91
0.10 0.32
DIBENl1I AM1N 103491
1.52 0.59 0.62 0.11
0.13 0.05 0.05 0.01
1.74
0.14
138
58
59
0.01
3.62 12.02
0,13 0.43
N,N—DIMETHYL.DJEYLAM1NE 12218!
4,b6 1.81 1.87 0.34
0.17 0.06 0.07 0.01
5.37
0,19
139
200
215
0.01
2.13 7,07
1.21 4.33
0.22
0.13
3.26
1.95
ATRAZ1 JE 1912249
3.05 1.18 0.90
1.85 0.72 0.55
69
-------
lriternal’External Stan ard File for i pd Class I 4
CmpdI Recovery Compound Name
Std 0 2 Std 054 Std 056 Std $51 Std 158
Mass 109 236 136 — B? 128 98 116 84 112
140 0.01 M PrMl3N (2) 110430
43 1.21 0.94 0.22 1.33 2.14 0.85 1.14 2.32 2.00
5 0,75 0, B 0.14 0.93 1.33 3.53 0.88 1.69 1.25
141 0.01 8UT0XY THAN01 111162
41 0.21 0.17 0.04 0.25 0.40 0.13 0.22 0.49 0.35
57 0.55 0,42 0.10 0.63 1.03 0.35 0.58 1,27 0.91
142 0.01 2.0CTA ON 111137
43 1.30 1,01 0.24 1.43 2.31 0.91 1.53 2.92 2.15
58 1.02 0.79 0.19 1.11 1.83 0.71 1.19 2.27 1.67
143 0.01 BurYLp 0p10NA1E 590012
57 1.46 1.14 0.27 1.11 2.73 0.90 1.49 4.27 3.15
75 0.44 0.34 0,08 0.51 0.82 0.27 0.45 1.28 0.95
144 0.01 ISOPI4DRDNE 78591
€2 1.77 1.36 0.33 2.04 3.17 1.13 1.86 4.11 2.93
138 O,3 0.30 0. 0.45 0.72 3.25 0.41 0,90 0,64
145 0.01 FENCH3 E 1195759
69 0,66 0.51 0.12 0.12 1.17 0.47 0.18 1.47 1.08
81 1.44 1.12 0.27 1.58 2.55 1.02 1.71 3.22 2.36
146 0.01 ALPHA•TF.RPIN€OL 98555
59 0.56 0.43 0.10 0.65 1,00 0.3b 0.59 1.31 0.93
136 0.32 0.25 0.06 0,37 0.58 3.21 0.34 0.15 0.53
147 0,01 N—DECANOL 112301
41 0.40 0.31 0.01 0,46 0.74 3.25 0.42 0.92 0. 6
43 0.44 0.34 0.08 0.51 0.79 3.28 0.46 1.02 0.73
148 0.fl l DIMETKYL 1 ADIPATE 627933
59 0.56 0.45 0.10 0.64 1.03 0.41 0.69 1.29 0.95
114 0,44 0,35 0.Od 0.49 0,19 0.32 o.54 1.00 0.14
149 0.01 METHILSTEAKAIe 112618
74 3.42 2.65 0.63 3.89 b.28 2.54 4.25 7.90 5.81
87 2.22 1.72 0,41 2.52 4.07 1.65 2.76 5.13 3.7/
150 0,01
43 1.47 1,11 0.26 1.67 2.66 3.88 1.46 4.18 3.09
57 1,42 1.08 0.25 1.64 2.61 3.85 1.41 4.05 3.00
151 0.01 PHENYU CETATE 122192
94 1.94 1.43 0.34 2.01 3.25 1.30 2.18 4.10 3.01
136 0.25 0.20 0.05 0.2b 0.45 3.18 0.30 0.57 0,42
152 0.01 aENZ1LIA ETATE 140114
91 0,52 0.40 0.09 0.57 0.92 3.37 0.62 1.15 0.65
108 1.09 0,85 0a20 1.19 1.92 0.77 1.29 2.43 1.19
70
-------
Internal/External Standard File for 1 pd Class $ 4
Cmpd$ Recovery Compound Name
Std P59 Std $60 Std $61 Std $62 Std $63
Mass 110 12b 82 110 264 • 188 99 —
140 0.01 HEPTANONE(2) 110430
43 0,88 2.91 1.13 0.44 0,47 0.08 1.30
58 0.55 1.82 0.71 0.27 0.29 0.05 0,81
141 0.01 BUTDXYETHANDL. 11116?
41 0,15 0.49 0.20 0.09 0.07 0.02 0,22
51 0,38 1.28 0.52 0.20 0.19 0.04 0.57
142 0.01 2—OCTANONE 311137
43 0.95 3.14 1.22 0.47 0.51 0.09 1.40
58 0.74 2.45 0,95 0.37 0.39 0.07 1.09
143 0.01 OUTYLPROPIONArE 590012
57 1.11 3.69 1.59 0,61 0.48 0.12 1.66
75 0.33 1.11 0.48 0.19 0.15 3.04 0.50
144 0.01 ISOPHORONE 79591
82 1.23 4.14 1.70 0.65 0,52 0.14 1,80
138 0.27 0.91 0.37 0.14 0.14 0.03 0.4k
145 0.01 FENCK3NE 1195159
69 0.48 1.58 0.62 0.24 0.25 0.05 0.71
81 1,05 3,45 1.35 0.52 0.55 0.10 1.55
146 0.01 ALPHA—TERPINEOL, 98555
59 0.39 1.31 0.54 0.21 0.20 0.04 0.58
136 O.2 0.16 0.31 0.12 0.11 0.03 0.34
147 0.01 N—DECANOL 112301
41 0.28 0.9) 0.38 0.15 0.14 0.03 0.41
43 0.31 1.63 0.42 0.16 0.15 0.03 0.46
148 0.01 DlMETt LADlPA1E 6279)0
59 0,42 1.40 0.54 0.21 0.22 0.04 0,62
114 0.33 1.08 0.42 0.16 0.17 0.03 0.48
149 0.01 METHSTEARATE 112618
74 2.58 8.56 3.32 1.29 1.33 0.24 3.83
87 1.67 5,55 2,15 0.83 0.87 3.16 2,48
150 0.01 N—D ECA 4E
43 1,05 3.59 1,55 0.60 0.47 0,11 1,62
51 1.01 3,48 1.50 0.58 0.4b 0.11 1.58
151 0.01 PHENYLACETATE 122792
94 1.31 4.43 1.72 0.67 0.70 0.13 1.98
136 0.18 0.62 0.24 0.09 0.10 0.02 0.28
152 0.01 BEMZYLACETATE 140114
91 0.38 1.25 0.48 0.19 0.20 3.04 0.5 5
108 0.79 2.63 1.02 0.40 0.41 0.07 1.17
71
-------
Internal/External Standard File for pd Class 1 4
Cmpd l Recovery Compound Name
Std I 2 Std 54 Std 156 Sta uSi Std 158
Mass 109 236 136 • 82 128 98 lIb 84 112
153 0.01 METHYLIBENZENESULJFUNA1
77 1.24 0.94 0.22 1.41 2.2 0,74 1.23 3,54 2.61
112 0.44 0 ,3 0.08 0.50 0.80 3.26 0.44 1,26 0,93
154 0.01 METHYLTOLULNESULFUNATE.(P)
91 1,60 1.21 0.29 1.81 2.89 0.95 1.58 4.53 3.35
155 0.72 0.54 0.13 0.81 1.29 0.42 Lii 2.02 1.50
155 0,01 OIMETHYIJPHTHALA(E 131113
17 0,81 0,63 0,15 0.94 1.45 0.52 0.85 1,88 1.34
163 5,29 4.01 0.98 u.10 9.46 3.36 5.56 12.21 8.71
156 0.01 - .THY1 T0LUENEbU( F0NATE.(P) 80400
91 1.74 1.32 0.31 1,97 3.14 3.03 1.72 4,Y2 3.65
155 1.18 0.91 0,21 1.40 2.23 0.73 1.21 3.46 2.35
157 0.01 D1crH I PHTFIALAr 84662
149 3.19 2.43 0.51 3.bS 5.79 1.90 3.11 9.08 6.13
177 0,80 0.61 0.14 0.93 3,47 0.48 0.80 2.29 1.69
158 0.01 0I UTYt.PHTHALArE 84742
5? 0.29 0.23 0.05 0.34 0.52 0.19 0.31 0,68 0.48
149 7.17 5.52 1.33 8.27 12.80 4.55 1.54 Ih.55 Il.8.
159 0.01 BUrYIJdENZYIJPIINAIJATE
91 2.09 1.62 0.38 2.28 3.69 1.48 2.48 4.64 3.41
149 3 , 7 2.62 0.62 3.69 5.95 .40 4.01 7,49 5,51
160 0,01 DIEiHYI HEXYLPi 1HALATE 117817
149 5.22 4.07 0.96 5.71 9.23 3.74 6.26 11.59 6,53
167 1.9 1.54 0.37 2.17 3.51 1.42 1.37 4,40 3.24
161 0,01 BENZA [ JDEHYDE 100527
17 0.3 0.28 0,07 0.42 0,64 0,23 0.38 0,84 0.60
105 0.40 0.31 0.01 0.46 0.13 0.25 0.42 0.92 0.bb
162 0. 1 T0LUAL 0EliYDE 529204
91 0.54 0.44 0.10 0.65 1.04 0.34 0.57 1.65 1.21
119 0,63 0,51 0,12 0.77 1.43 0.41 0.68 1.95 1.43
163 0.01 ACETOPHENONE 96862
17 0.38 0.64 0.15 (a.96 1.53 0.53 0.81 1.93 1.37
105 1.22 0,94 3,23 1.41 2.25 0.78 1.29 2.85 2,03
164 0.01 SALICYLALDEH 90028
121 0,56 0.44 0.10 0.61 0.99 3.43 0.67 1.24 0.91
122 0.60 0.47 0,11 0,60 1.07 0.43 0.12 1.34 0.9
165 0.01 ANISALDHYDE 123115
135 1.37 1.08 0.25 1.53 2.47 0.91 1.66 3.11 2.29
136 0.96 0.76 0.18 1.07 1.13 0.70 1.16 2.18 1.60
72
-------
Internal/External Stand3rd File for mpd Class I 4
Cmpdl RecoverV Compound Name
Std 059 Std 160 Std 161 Std $62 std 063
Mass 110 125 82 110 264 • 188 — 99
153 0.01 METHYLBENZ NESULF0NATE
77 0.91 3.0 1.31 0.51 0.40 3,09 1.38
172 0.32 1.08 0.47 0.18 0.14 0.03 0.49
154 0.)l ME1HyLroL uFNEsu(JoNATL( P)
91 1.17 3.93 1.6(4 0.65 0.51 0.12 1.76
155 0.52 1.71 0.75 0.29 0.23 0.05 0.79
155 0.01 DIMETHYLPHTHAL&IE 131113
77 0.57 1.83 0.75 0.29 9.28 0.06 0.85
163 3.68 11.87 4.88 1.88 1.85 0.41 5.51
156 0.01 ETHyL rot 1 uENEsuLp0NArE(P) 80400
91 1,28 4.25 1.83 0.71 3.55 0.13 (.92
155 0.91 3.01 1.30 0.50 3.3(4 9.09 1.36
157 0.01 D1ETHYLPHTIIAL.AFE 84662
149 2,35 7.82 3.34 1.30 1.02 0.24 3.54
177 0,59 1.91 0.85 0.33 0.26 0.06 0.89
158 0.01 D1BUTYLIPHTHAL1 1E 84742
57 0.20 0,68 0.28 0.11 0.10 9.02 0,31
149 4.99 1 .75 6.88 2.64 2.52 .55 7.47
159 0.01 BUTYLIB€NZYLPHTFUIJAT .
91 1,51 5.02 1.95 0.76 0,18 9 ,14 2.24
49 2,44 8.13 3,15 1.22 1.2b 9.23 3.62
160 0.01 DIEIHYL.UEXYLPHrHAIJAfl 117817
149 4.03 12.58 4.88 1.89 1.90 Q,3 5.61
167 1.53 4.18 1.85 0,12 0.7 3.13 2.13
161 0.01 BEP1ZAL DEHYDE 130521
77 0,25 0,84 0.35 0.13 Ll3 0.03 0.38
105 0.28 0.93 0,38 0.15 0.14 0.03 0.42
162 0,01 TObUALIDEHYDE 529204
91 0.42 1.41 0.61 0.24 0.15 0.05 0.64
119 0.50 1.66 0,72 0.28 3.22 0.05
16 0.01 ET0PHEU0N . 2862
77 0,57 1. 0.80 0.31 0.29 3.06 0 7
105 0.85 2.38 1.18 0 45 11.43 0.09 1.29
164 0.01 SALICYLALDEHYPE. 90028
121 0.41 1.35 0,52 0.20 0.21 0.04 0.60
122 0.44 1.46 0.56 0.22 3.23 0.04 0, 5
165 0.01 ANISALDHYDE 1fl115
135 1.01 3.36 1.30 0.51 0.53 0.09 1.50
136 0.11 2.36 0,91 0.35 0.37 0.07 1.05
73
-------
Intern.UE*t,r,ial 5tsn i d Ill. 1,r t0 CIaii I 4
Ciodi Recovery Coa ound Naie
Std I 2 Std •54 Sti .56 Sta •S ? 51d P 59
MIII $09 216 l la • 7 17$ 98 116 84 $12
.b6 0.01 PI4INOL 100952
94 1.07 0,84 0.20 1.1$ 1.90 0.76 1.77 2.41 1.17
167 0.01 KPSOL(P) 106445
107 1.21 0.9) 0,23 $.tO 2.25 3,l 0 1.79 2,91 2,08
108 1.07 0.82 3•2 ) 1.24 1,39 3.69 1.14 2 ,58 1,84
168 0.01 2.3.0IMLTKIL.Pl 526750
107 0,97 0.67 0.16 1.00 1.b1 ).57 0.95 7.08 1.48
172 0.91 0.70 0.11 1.05 1.64 0.58 0.96 7,1? 1.51
$69 0.0* 1S3PR3P L.Pi4C#31. 80699
121 1.79 1,36 0.37 2.04 3.25 1.07 1.78 5.11) 3.17
136 0.07 0.56 0.12 0.75 1.19 3.39 0,bS 1.87 1 .)R
170 0.0* 0.NITR3PPU.NUL. 881
65 0,03 0.02 0.00 0.03 0.35 3.02 0.0) 0.06 0.05
*39 0,13 0.10 0,07 0.14 0.73 1.09 0.15 0.29 (1.2$
171 0.01 4.HL3R3—3—1i YLPHL’43L 59537
107 0,93 0.7$ 0.17 1.06 1.6$ 3.55 0.92 2.64 2.95
142 1.02 0.77 0.18 1.1 1. 4 0.61 1.01 2.89 2.14
112 0.01 4.HLDRORtS OL ,
10? 0.93 0,64 0.16 0.97 1.57 0.53 0.8k 2.03 L 5
142 0.94 0.72 0,17 1.09 1.77 0.60 (•99 2.29 1.bJ
*73 0.01 1.NAP$THOL 9315)
$15 0,35 0.26 0,06 0.38 0.61 3.20 0,34 0,96 0.72
144 0.61 0.45 0.11 0.67 1.07 3.)5 0.29 1.68 1.25
1)4 0.01 P—TIJ4?—BUTYLPI1 .NDL. 98544
107 0.56 0.43 0.10 3.65 1.3) 3.34 0.56 ),t0 1.18
135 1,96 a.49 0,35 2.22 3.54 1.17 1.94 5.56 4.11
175 0.01 2—t 1TR3 RLSD1 4 $19335
77 0.26 0,23 0.05 0.30 0.46 3,07 O,21 0,60 0.43
153 0.74 0.51 0.14 3,83 1.3) 3.46 0.78 1.72 1. 3
176 0.31 2,4—0I HL,0R0PHE 4J 123832
16? 1.13 0.89 0.21 1.24 2.30 0.80 1.34 2.52 1.96
164 0,72 0.53 0.1) 0.78 1.27 0.51 0.85 1.60 1.18
177 0.01 2,4,6—rP1ctILJR3PfDN L 88062
196 0.81 0,63 0.15 0.9 1.44 3.58 0,97 1,88 1,34
19$ 0.83 0.64 3.15 J.’31 1.45 3.59 0.98 1.90 1.16
178 0.01 DI—TERrBUT —41tiYL PHENOL. 128370
205 2,53 1.91 0,47 2.1 4.49 1.8$ 3.03 5.66 4.16
220 0,67 0.5? 0,12 0,73 1.18 3,48 0.80 1.49 1.09
74
-------
1nterna1/1*t.rr .1 Stdni rd File or ‘pd Cliii I 4
C.DdI Recovery Qipoijr d Nm
St 159 StI 060 Std $61 SId •67 Ltd 063
lID 125 82 110 264 • 1 $
166 0.01 PH N0L. *08952
94 0.75 2.a3 1.01 0,39 3. l 3,07 1.15
167 0.01 RCSOL.(P) 106445
$07 0.88 2.85 1.17 0.45 0.44 ).$t 1,33
$08 0,78 2.52 1.03 0.40 3.i 3.J9 1,16
168 0,0% 2,3 DlTHYLP lE .)L, 526750
$07 0.63 2.3* 0.84 0.37 0.32 3.07 0.94
122 0.b4 2.14 0.85 0.33 3,32 3,01 0,95
169 0.01 IS3PPYLPH N3I b b99
$21 1.28 4.39 1.90 0,1) 0.58 3.14 1,99
136 0,47 1.61 3.69 0.27 3.21 3.05 0.71
173 0.03 0. 1TI 0PHI.t*3L. 88755
65 0,02 0.07 ).03 0.01 3.31 3.00 0,0)
1)9 0.09 0.3* 3.32 0,05 0.05 3,01 3.14
17$ 0.01 4.:Jk0 3—r yt.pe1l. L 59531
*07 0.66 2,27 0,98 0,38 0.30 3,01 1,03
*42 0.7? 2.49 3.07 0.42 0.32 3.08 1.1)
172 .0I 4. ML P0CPp:SoL,
307 0,59 1.95 0.80 0.31 3,31 3.07 0.91
142 0.66 2.23 0.85 0.34 0.35 0.08 1.03
17) 0,01 1. APHTH3t. 90153
115 0,25 0.83 0.36 0.14 0,11 3.03
144 0,44 1.45 3.b2 0.24 0.18 3.05
174 0,0* P—Tt—bUTYLpr E’ 3L 9H544
107 0.40 I.)& 0.66 0.23 3.18 ).(i4 0.62
335 1.44 4.79 2,04 0,80 0.63 3.15 2.16
115 0,01 2—P 1TR3RL53I. 119335
77 0,18 0.6$ 0.25 0,10 0.u9 0,02 0.21
1 53 0,52 1,74 3,73 0.27 J .aD 3,06 0,78
176 0.01 2.4—DI KL0kJF’HE 3L 123832
162 0,80 2,73 1.05 0.41 0,43 3.08 1.22
164 0,51 1.73 0.61 0.26 0.27 0.05 0.17
177 0.01 2.4.bIPICrIL.JR)PHESIL, 88062
196 0.58 1.97 0,16 0.30 0,91 3.05 0,88
198 0,58 1.9 3,1? 0,30 3,32 3,06 0, i9
178 0.01 03—? TBUTT —4—METHyL 1 PHEI,Ot 12H370
205 1.85 6.13 2.31 0.92 0.9b 3,17 2.73
220 0,4 1.61 0.62 0.24 0.25 0.05 0.72
75
-------
1flterni1/ tefr 1 Stani4rd I’Ue tor ipd Cla&& I 4
Cipdl Reeovery oipour d Naae
St I 2 StI .54 St 1 $56 Stc* .57 Std $58
a s 109 236 136 82 12 99 116 84 112
179 0.01 PTA:HL0I 0PPI€d3L. 8786s
264 0.29 0.22 0.05 0.34 0.54 0.19 i.3I 0.72 0.5?
2bb 0.47 0.36 0.0 3.55 0.?1 3.37 0.54 1.17 0.84
180 0,01 FLUUR NI 86131
165 2.74 2.13 0,19 3.31 4.95 1.95 1.27 6,12 4,50
166 3.07 2,ld 0.57 1.44 5,55 2.23 3,74 6,99 5.14
$81 .0I 2.3,S.1R1M$THYL dAPHfHAt.F.’iL 2245387
lbS 1.86 1.44 0,34 2.O& 3.36 1.36 2.27 4.24 3.12
$70 2.56 1,9 3,47 2.96 4.bl 1.96 3.11 5,83 4,29
$92 0.01 YHK EWI 123127
176 3.21 2,41 0.60 3,71 i.04 3.38 7,43 5.30
$83 0,01 P 1KI C 129000
202 4.89 1,75 0,95 5,bb 8.13 3.27 5.38 11,54 d,13
184 0.31 9.10.D1M THvLA rH8A:E’ i. 781431
191 1.33 1.03 0.25 1.45 2.35 3.94 1.57 2.96 2.18
206 2.85 2,22 0,53 3.11 5,04 2.01 3,17 6,36 4,69
185 0.01 HRYSEI4 218019
228 2.21 1.73 0.41 2.42 3.92 1.59 2.66 4.91 3.61
186 0.01 P .I 198550
252 1,60 1.23 0.30 1.84 2.96 1,02 1,68 3,bl 2.62
187 0.01 D1Y*’4 BUTAN 11169)
41 0.66 0.51 0.12 3.72 1.17 3.47 0,79 1.47 1.38
54 0 .29 0.23 0.05 3.32 0.52 2.10 .35 3.66 0.48
189 0,01 BUTVI A 8AMATE 14994775
43 0,48 0.)b 0.08 0.54 0,96 3.28 0.47 1.35 1.00
59 0,24 0.26 0,05 0.29 0.41 3.15 0.45 0.12 0.54
189 0.01 81S(2—HLuR01rL)r. [ p4& 112265
63 1.71 1.31 0.31 i. 1 3.13 1.03 1,71 4.93 3,63
93 0,94 0.65 3,15 3,91 1.54 )•5$ 0,94 2,41 1,78
190 0.01 TRIBUr!L.Pt4OSPP4&TE 126739
9 4.03 3.13 0.75 4.65 7.23 2.Sb 4.24 9,29 6.52
155 0,89 0 .b 0,lb 1.01 1,57 3,56 0.92 2,02 1.44
191 0.01 01HYDR3BEPlZ3FUR M(2,3) 496152
91 0.68 0.52 0.13 0.79 1.25 3.4) 0.72 1.58 1.13
120 0.91 0.75 0.18 1,12 3.67 3.66 0.7 2.16 1.54
$97 0,03 N1?N09EhZ NC b953
77 0,86 0.67 0.36 3.94 1.51 3.61 1.32 3.91 1.40
123 0.54 0.42 0,10 0.59 0.95 3.38 (.1.64 1.20 0.93
76
-------
Interni1/ xterr aL Stan r File tor i d Class I 4
StcI $62
188
0.02
3.04
3.19
0.21
2245 )$7
0.23
3.18
3.25
3.40
781432
3,09
3,19
3.15
0.12
3.04
0,02
I 12265
3.13
3.06
ReCoveCy
St $59
1*0 125
0.01
0,20 0.68
0,36 2.1*
0.02
2,00 6.62
2.28 7,57
0.01
1.38 4.59
1.90 6.32
0.01
2.24 7.59
0.01
3.59 11.41
0.02
0,96 3.1,
2.06 6.86
0.01
1.61 5.34
0.0%
1.1* 3,72
0,01
0,48 1,S9
0.22 0.71
0.02
0.3 1.16
0.19 0.b)
0.01
1.27 4.23
0.61 2.08
0.02
2.81 9.43
0.61 2.05
0,01
0,27 1.59
0.68 2.27
0.01
0.61 2.01
0,38 1.33
179
264
266
180
165
166
181
155
170
182
178
183
202
284
191
206
185
228
lBb
252
*87
41
54
188
41
59
189
63
93
190
99
155
191
91
120
192
77
123
0%pour2d Nime
St $60 S d $62
82 110 264
P€N?A:HL0R0PHg d)LI $7865
0,28 0,11 3.22
0.45 0.07 3.18
FLU0NE 86737
2.57 0.99 1,34
2,’?) 1.14 1,19
2, 3,S.rKIH rHY&PHTt ’dl.
1,18 0.69 0.72
2.44 0.95 0.99
AP4THKA EN 123127
3.08 1.29 2,1)
P N€ 129 )O0
4.95 1.90 1.80
1.24 0,48 0,50
2 b1 1.03 2.08
HRYS NE 218029
2.07 0.80 0.82
PYL, 4E 19$SS0
1.53 0.59 0.41
011A’43BUTANP. 121693
0.62 0.2’I 0.25
3.28 0.11 3.11
B1JrYLAW8AMAT 14994775
0,50 0.09 3,15
0.41 0.12 0,08
BIs(2—:HL.uwIr1vL)2.rHA E
1.83 0.71 0.Sb
0.90 0.35 3.27
TP1E LJTYLPH0SPMArE 126738
3.87 1,49 2.41
0.84 0.32 0.32
Ofl1YDR)BENZOF1J 4N(2, 3)
0,65 0.25 0.24
0.90 0.3S 0.33
rllrRoNlI.N1 98953
0.80 0.31 0.33
0,50 0.20 0.21
Std
99
0,31
0.50
2.95
3.36
2,05
2.8)
3.35
5,36
1.42
3.06
2.39
1 .65
0.72
0.32
0.52
0,26
1.92
0.94
4.19
0.91
0.71
0.98
0.94
0.59
3.31
0,07
496162
0.05
3.07
3.06
0.04
77
-------
Internil/ *terr%&1 Standif Vile for :a d C1as5 $ 4
C PdI Recovery oipoUnd foale
Std I 2 Sti $54 Stcl 156 Sti 151 Std $58
NaSS 109 236 )3b — 81 128 98 116 84 112
193 0.01 B ANZ)rH1Al0I I. 951b9
135 1.56 1.21 0,29 1.11 2.lb 1.11 1.86 3.47 2.5’3
194 0.01 p8cwrL:ARBA Ar $02393
94 1.25 0 .9b 0.23 1.44 2.23 3.19 1.31 2.88 2.36
137 0.02 0.01 0,00 3.02 0.33 3.01 0.02 0,04 0,03
195 0.01 2,4.01NITHOT0LU N . 121142
89 0.35 0.28 0.06 0.40 0.55 3.26 0.44 0.131 0.60
165 0.71 0.53 0.13 0e15 1,11 ).4b O,7b 1.13
196 0.01 BZ (L.SULFID 518149
1 3.55 2.68 0.63 4.00 6,33 1.10 3.49 9,99 7.42
123 0.90 0.68 0.16 1.02 1.62 3.’,) 0.89 1.54 1.88
197 0.01 01PH1 SUL.V0 121639
Ilb 3.82 i•44 0.81 S .1b u.2l 2.11 4.51 12,95 8.65
218 0.92 0.13 0.11 1.10 1.75 3.58 0.96 2.74 2.01
198 0.01 q1PHE 4tL Pr43SPH41E 315866
325 7.59 2.01 0.13 0.19 1.28 3.52 0.87 1,61 1.18
326 0,09 0.07 0.11 1.33 1.61 3.68 1.14 2.09 1.54
199 0.01 01PHY U Y 581859
71 0.12 0.56 0.48 2.85 4.59 1.96 3.213 6,013 4.4?
356 0.95 0.74 0,02 0.09 3.15 0.06 (‘.11 0.20 0.15
200 0.0 ) T TkA HENYL r1
$97 1,40 1.13 0.21 1.10 2.7) 3.89 1.41 4.21 3.13
351 1,30 1.05 0.25 1.58 2.5% 3.82 1.37 3.91 2.91
201 0,82 BZYLH1.0R1D 100447
91 1.55 1.18 0.28 1.11 2.82 3.93 1.54 4.42 3.28
12e 0,42 0.32 0 08 0.48 0.16 0.25 0.42 1.20 Q•J9
202 0.01 4.L3RJbLNl fl411R1Lt b23030
102 0.55 0.42 0.10 0.b3 O. 9 3.33 0.55 1.57 1.16
131 2.10 1.57 0,36 2.38 3.19 1.25 2.08 5•95 4,40
203 0.01 3 — LOP L NZZ.LDElfl0E 5t 1O4?
)11 0.06 0,05 0.01 3.08 0.12 0.04 0.07 0.20 0.14
139 0.12 0.13 0.02 0.15 0.24 0,08 0,13 0.38 0.18
204 0.01 0. 0AN1S3L 7bo 3d
127 0,60 0.4b 0.13 0.b9 1.39 0.36 0.60 1.71 1.27
142 1.32 1.03 3.24 3 5(b 2.4) 3.79 1.31 3.76 2.18
205 0.01 CHL.QHOt3ENZ MID 619567
139 0.70 0.55 0.13 3,11 1.25 0.50 0.84 3,57 1 .lb
155 0,38 0.33 (1.01 0.42 0.b s 0.27 (‘.46 0.85 0.53
78
-------
1nterr%*1/E cte1fle1 Stand3fd 11e tor tpd CI sS I 4
Cmpdl Re overv ompound &eLe
Std s59 St i ebO Std .61 Stcl $62 Std .63
HiSS *10 125 82 110 264 • 1bê 99 —
193 0.01 bEANZ)TH1AZ0L . 95169
135 2,34 3,76 1,4b 0,51 0,.9 3.31
194 0.01 p N1I :AR A ArE 1023 0
94 0,07 2. )2 1.20 0.46 .44 3.30 1.30
117 (‘.0* 0.04 0.01 0.01 0.00 3,00 0.02
195 0.0* 2,4 —D1N1TR0T0LUEPI 121142
89 0,27 0.88 0.34 0.13 3.11 3.03 0.39
165 0.50 1.66 0,64 0.25 0.26 3,05 0,74
196 0.01 B€NZYLSULFIOL 538149
91 2,47 8.bZ 3.12 1.44 1.1% 3.27 3.90
123 0.63 ?.1 3,14 0,37 0.26 3,07 U,99
397 0.03 D1F1ft’l!LSUL.FU 127639
325 3,00 11.09 4.77 1.85 1.22 3.35
218 0,67 2.36 1.02 0.29 0 ,3U 3,01 3,07
198 0,01 TluPH ’4YLPH0SPKATE lI58b
325 I.9d 6.58 2.55 0.95 1.03 3,18 o,7H
326 C .06 0.22 3,09 0.03 3.03 3.01 1.02
199 0.01 D1Ph Y1JME URY 5 1B59
77 0,53 1.75 0.bt 0.26 3.2b 3.05 2.94
356 0,6Q 2.28 0,86 0.34 0.35 3 ,Ub 0,10
200 0,0* TCTI A?1ENYLTI
191 1.10 3,bb 1.51 0.61 3.44 3.11 1,56
351 1.)) 3.4) 1.4b 0.51 0.41 3.11 1.54
201 0.82 BENlY1 HLONJ0C UJ0447
91 1,10 3.01 1.64 0.64 0,50 3.12 1,11
12b 0, 10 1,03 0,45 0,17 0,12 3.03 0.47
202 0.C1 4 HL3k08lO I1K1LL b23030
102 0,39 1.35 0,58 0.23 0.16 3,04 0.61
13? 1.49 5.12 2.21 0.85 3.67 3.16 2.32
201 0,01 3 —,OiAL0fli) 587042
111 0.05 0,17 0.07 0.03 3.02 ).00 0.08
139 0,10 0.32 0,14 0,05 0.04 0.J1 0.15
204 0,01 3—dL .3RUANIS3( E lbbSId
127 0.43 1.48 0,64 0.25 0.17 3.05 0.67
142 0.94 3.24 1.40 0.54 0.Jb 3.10 1.46
205 0.31 ZHLOP36 NZAMIDE blQ”bl
139 0.51 1.7) 0.66 0.26 0.27 0.05 0,16
155 0,28 0.92 0.36 0.14 (,.15 3.03 0.41
79
-------
Internil/External Standard File tor pd Class I 4
CmpdI Recovery o pound Name
Std I 2 st s54 Std 156 Std I 1 Std 158
199 236 136 82 128 98 116 84 112
206 0.01 3,4.D1 I4LoRoBrJZALDEHvDE 6287383
173 0,411 0.39 o,oc 0.5t3 0.93 0.31 0,57 1,46 1.07
174 0.32 0.26 0.Ob 0.39 0.62 0,21 0.34 0.98 0,12
207 0.01 1,2,4.TR1CHL0PENZ Pil. 120821
145 0.34 0.26 0.06 0,40 0,63 9.72 0.36 0,110 0.57
180 1.30 1.00 0,24 1.50 2.49 3.113 1.37 3.03 2,16
208 0,01 2—8 l 0 0—1 • C 141. OR 311 I fr 1 E ‘J E 6941104
190 0,78 0.61 0.14 0.85 1,38 3.55 0,92 1.74 1.28
1’)2 1.04 0,111 0.39 1.14 1.84 3.14 1.24 2.33 1.71
209 0,68 1,2.u1:HLoRo ApHr144LENE S0693
161 0,44 0.34 0,06 0.50 i SiS 3.28 0.4b 1.01 0.12
196 2,17 1,67 0,40 2.S1 3.88 1,38 2,29 5.03 3.58
210 0.53 I,2,4,S —r TPAHL3RDBZ . 95943
214 1.18 0.90 0.22 1.29 2.3’ 0.84 1.40 2.63 1.94
216 1.54 1.1$ 3,211 1.69 2.12 1.09 1.83 3.43 2.52
211 0.43 P—DlBRDM0Bl NZE E 106376
234 0.68 0.52 0,12 0,77 1.23 3.11 0.61 1,93 1.43
236 1.29 1.00 0,23 1.414 2.3 0.1 1.30 ,77 2.93
212 0,01 4—BR0M0D1PHrNYLETH .I4 b4 ’.14
748 1.08 0,81 0.20 1.19 1.92 0.17 1.29 2.4? 1,78
250 1.13 0.P? 0.21 1.26 2.04 3.81 1,37 2.57 1,89
213 0,95 HIXACHL0H0RINZE 4I. 118741
284 0,74 0,56 0.13 0.84 1.34 3.44 0.13 2.10 1.55
286 0,60 0.46 0.11 0,bb 1.38 0.36 0.59 1.70 1.26
80
-------
internal/ExternIl Standard 1le t: I pd Class I 4
Cmpd l Recovery oip’und N e
Std 159 Sti. eDO Std 151 Std s62 Md 163
Mass *10 125 82 310 264 — 188 — 99
206 0.01 3,4.1 1Z IL0BE d1ALDEH?)L 6281383
173 O•37 1.25 0.54 0.21 0.11 0.04
174 0.25 0,84 0.i6 0.14 0,11 3.03 0.38
207 0.01 12082*
145 0.24 0,80 0.33 0.13 3.12 0.03 0.36
180 0.89 LOS 1.25 0.48 0.4b 0.10 1.36
208 0.01 2.0MJ—I—CHL R)l ’ € 694804
190 0,57 1.88 0.13 0.28 0.10 0.05
192 0.76 2.52 0,98 0.38 3.40 0.01 1.12
209 0.68 1.2.D1HL0H0h PHTItALE 2050693
161 0.31 1.02 0.42 0.16 0.15 3.03
196 1.52 5.08 2,08 0.80 0.lb 0.17 2,27
210 0,53 ta.4.s.rE1R&: 3 3 lENt 95943
214 0,86 2.85 1.1* 0.43 0.4S 3,C’B 1.27
216 1.12 3.12 1,44 0 ,5b 0.58 3.11 1.66
231 0,43 P —D1AP38DHENZE 4E 106376
214 0.49 1.66 0. 2 0.28 3,19 3.05 (1.75
236 0.93 3.18 1.38 0.53 0.45 3.10 1.4 5
212 0.01 4.BM0D1PMEN l. .T1 R 6452499
248 0,7 2.61 t.’Jl 0.39 0.41 3.01 1.37
250 0,84 2.78 1.08 0.42 3 44 ,0# 1.24
213 0 ,5 I ACHL0N 1NZ I *38741
284 0.53 1.83 0.78 0.33 3.24 3.06 0.82
286 0,43 1 ,4b 0 ,b3 0.24 0.19 0.05 0.66
ai
-------
Table B-S RxfRs AND RECOVERIES FOR WARN COMPOUNDS
(RLLE, pH 8.O/FRACTIO!J NOS. 2 & 3)
Class No. S
Standard ID No.
Standard Name
2
4-Fluoro-2-iodotoluene (external)
54
d 8 -Naphthalene (internal)
56
d 5 -Nitroben ene (internal)
57
d 10 —o-Xylene (internal)
58
d 5 -Phenylethanol (interna I)
59
d 5 -Acetophenone (internal)
60
d 5 -Propiophenone (internal)
61
d 12 -Perylene (internal)
62
d 9 -Acridine (internal)
63
d 5 -Phcnol (internal)
82
-------
Co, um4
MATRTX OF STANI)ARD ION HM S
(c i i RecO ef1
St and
I’tthut.tnl’nI d Ph nvIatttiiuot
d 5 .Ph.nol d 9 .Nip O tthslInt d 5
92 ., ize alt 91 S/S Ill
d 6 .ph noI
9
0 66
.69(9)
99(9)
. 11 (i )
. 29( 6)
I O S
I 79(S)
I 66(3)
1 94 ( 6)
2.41(R)
4 21 (H)
I 73(15)
3 01(H)
d.o iytent
99
1(6
P.4
P 69
1.72(9) ’
I 03(a)
.
60(0)
1.6 1 ( 1)
. 1 9 ( 6)
I 07 1 5)
1.7 1 (9)
2.53(22)
1 631)6)
1.1(121)
(0.69(h)
d 9 .n ap l tthsthn s
0 40
6.97(4)
3 .t(7)
6.65(7)
.9S(l0)
.16(3)
6.21(3)
•
9 99(3)
I bO lt)
2 35(17)
1.70(16)
I •ntii b nttns
S
1
035
U SS
.97(4)
.61(1)
•3S(9)
.69(9)
. 1 0 ( 1)
•( 17 1
63 (t)
.
I 17(16)
I 07(16)
dçphtniIeth lflOt
64
Ill
0 62
0 62
.42( 13)
.66(13)
.23(24)
.33(22)
.12(21)
.69(23)
.9 1(16)
.096(1 1)
41(16)
6I(t6)
I 13(6)
.70 (R)
.96(16)
I 62(6)
—
1.39(2)
3 63(h ))
.73(2)
•
I 90(10)
d 5 .proplcphen one
62
to
0 42
0 12
* 09(41
96(5)
63( 13)
I 67(13)
I 07(11)
2.75(ti)
IS (S)
16(17)
2 99(6)
I 60(3)
4.72(6)
2 63(6)
6 54(12)
3.71(17)
4.96(11)
7 99(16)
d 1 .sca(ophnnonl
4 12 .p.rylen.
110
264
10
ø
0 76
I 62(2)
.46(2)
3 66(I ))
.90(7)
.27(6)
2.09(7)
I 60)5)
.43(7)
3 1 5(5)
.73(4)
p. 36 ( 1)
60(9)
. 24( 9)
45(3)
3 70(I ))
1 3 1(4)
.76(4)
5.90(12)
3 40(e)
I *1(19)
S 52(15)
3.61(13)
.51( 17)
6.37(29)
2 65 1 13)
d 9 -.crIdtni
0
I 43(7)
.56( 1 5)
.16(3)
1. 11(2)
I s2 (2)
3 60(15)
I 97(19)
4.fI 60 o.l.3odotOIuSn 5
109
1. 10(1)
1.41(4)
63(7)
.84(6)
I 39(7)
.24(6)
$ 41(3)
2.37(7)
3 45(1 1)
2 62(11)
(continued)
-------
d 5 .rrepsc. 1 k non.
Coapound l .a Ieco Iry .1: 52 •I! ItO
St ania r4
1.1 IuOIO .i . (OdotOIlita4
-Acetnpheflofle
i: Prr 7 1,ni
alt 263
d,
.11 1S9
109 e’
a!:
ItO
•/
121
d 3 .phv 0l 99 0 66 .9(S) 3 3( 5 ) 67 (2) 2 21(3) 31(13) 70(7) 9 1(9) .7 1(4)
d .o.l (tfl, 9$ NA 59(12) 61113) I 13(7) 3 .7(7) S3(lO) 1.70(13) 1.56(6) I 2 1 (6)
— (lb NA .95(13) 17(12) 6716) 2.27(7) 32(10) .72(13) 91(61 . 15(6)
d 5 .napht Sa!ine 136 0 40 S SI(S) 2. 13( 5) 3 9 1(1) I I I I ) )) I 76(15) 1 20(S) S.4s I) a 20 (l)
d 5 ,utro n1tnI 92 fl 35 .99(6) 34(6) 63(4) 2 12( 1) 29(1 2) 67(6) 5 9( 2) 69(3)
i2 0 S I 53(6) 2:16) 9(I) 1.32(3) I $(1o) 42(6) .53(3) 42(3)
d 5 -pPb.nyIe lhsnoI 84 0 6? .37(11) 13(10) 25(16) 0J( 1) 13 (2 :) 29(11) SS(l,I .301(7)
II? Q .93(10) .21(9) 39(16) I 28(161 I SU I) .41(13) .32(I9) .42(18)
d 5 _proptoph none S i o I? — 3 9 (l) .71(7) 2 40(6) 39(23) 76(3) I 00(7) 77(7)
110 0 42 2 60(t) . I 53 (6) 6 2 1(6) $7119) 2 0013) 7 59(7) I 99(7)
d 5 .sc.tophenone 110 60 1 41(6) 5 3(6) . 3 39(l) 47(14) I 1019) I 37(4) I 07(2)
125 ND .42(6) 16(1) .10(2) - ti ltS) 32(9) 42(2) .32(3)
d 12 .peryter s 264 0 75 3.09(U) 1.27(16) 2 37(12) 7 93(121 . 2 10(16’ 3 2 1(9) 2.91(9)
d 9 ..cr ld ln. $$ 0 77 1.33(5) 52( 5) .91(10) 3 ISUI) 39(10) — 1.32 (9) I 03(9)
4.fluoro.2. (odololueflI 109 NA I 01(7) 39(7) .7 1(2) 2 40(2) .34(17) .7 6( 5) .7 7(I)
236 “ 1.31(7) 51(7) 92(3) 3 11(2) .12( 16) I VOlt) 1.30(1) —
-------
Internft/Exterr a1 Standard File tor ti d Class I 5
Cmpd l Recovery Compound Naaie
Std I 2 Std $54 Std *56 Std *57 Std $58
Mass 109 236 136 8 128 98 116 4 112
100 0.49 ALPHA.PICOL 1 INE 109068
66 0.26 0.23 0.05 0.30 0.46 3.16 0.27 0.59 0.42
93 0,66 0.51 0.12 0.76 1.18 0.40 0,66 1.52 1.09
101 0,63 ANILINE 62533
66 0.23 0.19 0.04 0.28 0.41 0.15 0.24 0.53 0.38
93 0,76 0.54 0,13 0.81 1.25 0.45 0.74 1.62 1.15
102 0.44 1ND01 120129
90 0.12 0,54 0.13 0.82 1.30 0.43 0.71 2.04 1.51
117 1.92 1.45 0.34 2.17 3..6 1.14 1.89 5.43 4.32
103 0.60 2,3,b—TRIMETHYLPYF IDPdE 1452846
120 0.66 0.51 0.12 0.76 1,18 0.42 0.69 1,53 1.09
121 0.90 0.69 0.17 1.03 1.61 0.55 0.91 2.08 1.49
104 0.86 2,6.DIMETHYLAN1U1 E 1300738
lOb 0.36 0.27 0.06 0.41 0.65 0.21 0,36 1.02 0.75
121 0.57 0.44 0.10 0,66 1.04 3.34 0.57 1.64 1.21
105 0.80 M— HL,3ROANILINE 108429
127 1.09 0.84 0.20 1.2b 1.94 0.69 1.15 2. 2 1.79
129 0.34 0.26 0,06 0.29 0.60 0.22 0.36 0,78 0.56
106 0.53 QIJINULINE 91225
129 1.82 1.41 0.34 1.99 3.22 1.30 2.17 4.06 2.9a
107 0.55 2,4—DIMETHY1 1 QU1NIr E 1198374
156 0,41 0.32 0.08 0.47 0.75 0,26 0.43 0.95 0.68
151 2.01 1.54 0,37 2.31 3.59 1.21 2.11 4.64 3.31
108 0.73 CARBA DLE 81648
167 3.13 2.88 0.69 4.30 6,65 2.37 3.92 9.36 6.67
109 0.55 2—AMIN3BIPHENYL, 90415
168 6.79 5.11 1.?0 7.65 12.38 4.61 6.67 19.13 14.17
169 12.72 9.45 2.22 14.15 22.54 7.42 12.30’ 35,40 26,19
110 0.87 DIPHE Y( AM1N€ 122394
168 .4 1.11 0.27 1.11 2.65 0.94 1.56 3,43 2,45
169 2.79 2.15 0.5? 3.22 4.99 3.77 2.93 6.45 4.60
111 0,40 rpIBuryLAMIuE 132829
100 0.42 0,33 C.O8 3.49 0.75 0.27 0.44 Q ,97 0.69
142 1.53 1.18 0.28 1.17 7.74 0.97 1.1 3.52 2.51
112 0.68 C FF .iN 580B2
109 0, 1C 0,08 0,02 0.12 0.!1 0,06 0,10 0,23 0,16
194 0.19 0 .5 0,04 3.2 0,34 D.12 0.20 0.44 0.32
113 0,43 0iBENiYt P41NE 103491
91 1.62 3.25 0.30 1.76 2.87 i.:o 1.94 3.63 2,S7
197 0,13 3.11 0.03 0.15 0.24 3.10 0.16 0.30 0.22
85
-------
lntern1/Extern l Stand3rd File for i pd Class I 5
Cmpdl Recovery Conpound Name
Std 159 Std $60 Std 161 Std *62 Std Pb)
Mass 110 125 82 110 264 • 188 99 —
100 0,49 ALIPi4A —PICOLINE 109068
66 0.18 0.60 0.25 0.09 0.09 0.02 0.27
93 0.46 1,54 0.63 0.24 0,23 0.05 0.69
101 0.63 ANILiNE 62533
66 0.17 0.56 0.22 0.09 0.08 0.02 0 24
93 0.49 1.64 0.D1 0.26 0.24 0.05 0,13
102 0.44 INOOLE 120729
90 0.51 1.75 0,76 0.29 0.23 0.05 0.79
117 1.40 4.68 2.02 0.78 0.61 0,15 2.12
103 0,60 2,3,b.TRIMETHYLPYI IDJNE 1462846
120 0.46 1.54 0.63 0.24 0.23 0.05 0,67
121 0.62 2.10 0,86 0,33 0e32 0.07 0.94
104 0.86 2. 6—D1METHYLANIL,1N . 1300738
106 0.26 0.88 0,38 0.15 0.11 0.03 0.40
121 0.42 1,41 0.61 0,24 0.18 0.04 0,b4
105 0.80 M.HL,DPUAN1LIP E 108429
121 0,76 2,55 1.05 0.40 3,38 0,98 3,14
129 0.24 0.79 0.33 0.13 0.12 0,03 0.35
106 0.53 QUIN0L.1 E 91225
129 1.33 4.43 1.70 0.66 0.69 0.1 1.96
107 0.55 2,4—D1TUYL0tJ1N L1P . 1198374
156 0.29 0.96 0,40 0,15 0.15 0.03 0.43
157 1.46 4.b 1.93 0.74 0.71 0.15 2,09
108 0.73 CARBAZOL’ 87648
167 2.60 8.72 3.57 1.37 1.2I O.i 4.22
09 0.55 2—AMINOBIPHENYL 90415
168 4.75 16.46 7.10 2.75 2.13 0.51 7.45
169 8.82 30.44 13.14 5.08 3.9b 0.95 13.80
110 0,87 DIPHENYLAM1NE I?2394
168 1.03 3.41 1.42 0.5’ 0.52 0.11 3.55
169 1,94 6.46 2.68 1.03 0.98 0.22 2,91
311 0.40 TR18UttL1 M1Nt 102629
100 0,29 0.99 ‘.41 0.16 0.15 0.03 0.44
142 0.99 3.34 1.47 0.57 0.53 0.12 1.59
112 0,68 CAFIEI E S8082
109 0.07 0.23 0,09 0.04 0.04 0.01 0.10
1 4 0.13 (1,45 0.07 3.07 3.02 0.21
113 0,43 01BENZYi AMINE. 103491
91 1.18 3.9’ 1.52 0.59 0.t2 0.11 1.74
197 0.10 0.32 0.13 0.05 0.05 0.01 0.14
-------
lnternal/ xteraal 5tand rd File br mpd Class I 5
Cmpdl Recovery Compour d Name
Std I 2 St $54 Std .56 Std $57 Std 158
Mass 109 236 136 82 129 98 116 84 112
114 0.74 N,N—Dl’ tTHYLD30EYLAMI E 112185
58 4.72 3.88 0.87 5.41 8.83 3,58 5,99 ll ,OQ 8.16
59 0,17 0.13 0.03 0.20 0,30 0.13 0.21 0.40 0.29
115 0.78 .%TRAZINE 1912249
200 2.75 2.20 0.52 3.28 5.23 1.72 2.86 8.17 6.09
215 1.67 1.ji 0.31 2.00 3.18 1.05 1.74 4.97 3.71
16 0.55 HEPTA 0NE(2) 110430
43 1,21 0.94 0.22 1.33 2.14 0.85 1.14 2.32 2.00
58 0.75 0.58 0.14 0.83 1.3) 0.53 0,R8 1.69 1.25
117 0,70 BUTOXYETHANOL. 111762
41 0,21 0.11 0.04 0.25 0.40 0.1 0.22 0.49 0.35
57 0.55 0.42 0.10 3.63 1.33 0.35 0.58 1 .27 0.91
118 0.55 2.OCT(INONE 111131
43 1,30 1.01 0.24 1.43 2.31 0,Q1 1,53 2.92 2.15
SB 1.02 0.79 0.19 1.11 1.83 3.71 1.39 2,’1 i.61
119 0.31 B(JTyupRoploNArc 590012
57 1.48 1.14 0.27 1.71 2.73 0.90 1.49 4.27 3.15
75 0.44 0.34 0,08 0.51 0.82 3,27 0.4 , 1,28 0.95
120 0.71 ISOPHOBROIiE 79591
82 1,77 1.36 0.33 2.04 3.17 1.13 1,86 4.11 2.93
138 0.39 0.30 0.07 0.4S 0,77 3.25 0.41 0.90 0.64
121 0.C 3 F NCH0 IE 1195159
69 0,66 0.51 0,12 C.12 1,17 0.47 0.78 1,47 1.)8
81 1.44 1.12 0,27 1,58 2,55 1,02 1,71 3.22 2,36
122 1.11 ALPt1A-TERP1t 3L. 98555
59 0.56 0.43 0,10 0.65 1.00 0.36 0.59 1.31 0.93
136 0,32 0.25 0.06 0.37 0.,B 3.21 0.34 0,5 0,53
123 (1.71 N—DECA’40L. 112301
41 0,40 0.31 0.07 0.46 0,74 3.25 0.42 0,92 0.66
4) 0.44 0.34 Q,O8 0.51 0.79 3.28 0.46 1.02 0.13
124 0.49 D1:4ErHYLAUIPArE 527930
59 0,5b 0.45 0.10 0.b4 1.33 0.41 0.6 1.29 Q ,9
114 0.44 0,35 o,oe 0.49 Q• 9 .32 0. 4 1.00 0.14
125 0.91 METFIYLISTEARATC 112.18
74 3.42 2.65 0.63 3. 9 b.28 2.54 4.25 1.90 5.81
87 2.22 1.72 0.41 2.52 4 , j1 1.65 2.76 5.13 3.71
126 0.32 PH NYLACETATE 122792
94 1,84 1.43 0.34 2.01 3.25 1,3w 2.18 4.10 3.01
136 0.25 0.23 0,05 0.28 0.45 ).18 0.30 0.5. 0.42
37
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C.D1a :3I,oJ, . N4V
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$30 óJ 1$u 204 • I8 • 99
$34 0,74 IIi3 s
,• 1• $ ,oj 4,oo 1, I l.el 3.14 ,J7
S9 0 , J 0,41 0.31 C. ,o 0,03 ) O 3 0,3 9
33 5 £tMAZ* t $937349
30o 2,31 7, Op 1. . s l.$i 0 ,9u ).3
7*5 1.2$ 4.13 1. 0.72 3.11 1.95
1*6 0 . s MTA 3’.P(7) 1*0330
41 0 , N 7.9$ 1.11 0.44 1.30
S 0,55 1,82 0.11 0 ,77 ),l
*37 O,in tJvJzI :fMA 3L Ill 7aJ
4$ 0 ,$s 0,49 ),J0 0,0w .01 3.02
7 0 ,js $,Id ).‘2 ),2u . e ) , ,4 0.57
11 ,.s l•rA .p . 1?1j7
43 •,$s I.?? .41 J.S* 3.0’ 3.40
58 0,74 1.45 J,9 0.11 0,i 3 ,07 3.09
119 1.11 bUtYL?wOPl(j ,At 5903$?
57 3 ,$$ 3•i 3 1 ,5 1 0, $ 3. 12 3.66
75 0.11 1.1* 0,4. 0. I .3,i’ .04 0.50
120 0.73 lsr)pHRri 1 g 7459$
87 1.2) 4,14 l.lfl 3,05 3.t2 3.14 3. 3 .0
3)8 0,77 0,93 0,31 0.14 .34 3 .OJ 0.41
Ill 0.t 1395159
09 0,4.4 ) ,b7 0,74 3,05 0.71
,1 1.05 1.45 1.3’ 0.52 3.13 3.55
322 I.ti A&.1pPp1, j; 9 555
59 0,3 3 .54 0 ,fl 3.20
13 0 ,73 0.1k o ,J 0.32 0.11 0.34
123 —0t:isJj. 1 1 )33 1
4% 0,7w 0,9) ) J .I. , ),14 3.03 0,4$
4) 0.3% 1.63 J,42 3.10 3,15 a.33 0.4E
124 ‘.1 4 01 kT 1AO1PAT; 071933
59 0.4) 3.4) . 4 .fl ),22 3.04 0.02
114 0,33 •o ),37 0 .1 0,1 , 3.0) 0.40
125 %12blr
14 2.5W B.SD 3. 1.23 1,31 3.24 3.83
81 1, 3 5,5 2.I 0 3 3.87 ). I o
126 3.32 PMTI TAT - l279l
94 1.31 4,43 1.71 0.67 ,7Q 3.1) 1.98
ho 0.1t 0.67 3.14 0.09 0.10 3.02 0 ,28
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If%tern.I.Cgt.rrial St4r isf 111. og Pi Zasb S S
RPC3V•fY oI ojfld N4R
Sti I 2 StI IS, Std •S Sti 151 5td IS
10$ 216 $36 • l I7 e $ 16 bi 1 11
U i 0, 55 Il;qzv A:$yArt. 14 1 11
9$ 0.5? 0,4) 0,09 0.5? O . j JIll 0,b 1.15 0.NS
br $,QJ 0.$5 .20 1.19 I. 2 3.77 1.2 2,43 1,19
$20 0 ,60 01WPTP1 11 .PHI,lA1.U1 131113
11 o , I 0,61 u .$S J•94 *,Is 3.52 0,85 1. 1.34
163 S.2J 4,01 O,9 O 5,80 9.45 3.35 S.St l2. ?2 8.71
3,70 Cf 4(LX)LUSi!Lp) Afl(P) N3S00
8.74 1.42 0.18 I. ?, 3.14 1.03 1.72 4,92 3.65
l.ld 0,94 3,22 1,40 1,1) .1.73 1 ,/ I 3.41 2.15
$30 0.89 01 .TH$LI’ gT,laL4tp M46b7
$49 1,$9 3.4$ 0.5? ft.bS ,.19 1.90 3.17 9.08 5.7$
$77 0.R0 0,51 0,14 0.91 1.47 3.48 0,80 2.29 1.89
13$ 1.38 D18uT1Lp iT(.4f1 8474
51 0.29 0.21 0.05 0.34 o,s 0,19 0.31 0,68 0.48
149 7.17 3.3 1.3$ 8.21 11 . 3 4.55 7.34 15.55 11,80
$12 0.74 HIJTY ZYLPI I PH.
9$ 1,09 $ ,6j 0.is 2.2$ $,4R 7.4w 4,54 3.41
$49 1.37 2,a2 0.62 1.69 2.40 4.01 1.49 5.51
113 1.34 D1 rHyLHExyL,p r J4L4r 111311
$49 5.22 4,07 0,9b 5,71 9.23 1.14 t ,2b 18.59 8,53
Ibi 1 ,98 1.54 0.31 2.11 3.51 1.4? 2.31 4,40 3.24
134 ,43 ZAt 0t.HYL ,E 10u527
77 0.36 0.23 0.07 3.42 0,64 3.23 0.38 0,84 0.50
*05 0.40 0.31 0,07 0,46 0,70 0,25 0.42 0.92 0,66
135 1.05 13LUA ( .D HY0L 519204
9$ 0,S4 0,48 3.10 0.65 1,.)4 3.34 0.51 1.65 1.2$
119 0.6$ 0.51 3.12 3.77 1.23 3.41 (‘.68 1.95 1.43
1)6 0.01 A:EruPP .w E 99$bl
fl 0,64 O,:S .9b 1,53 3.53 0.87 1.93 1.31
105 1.22 0.94 0.23 1.4$ 2.23 0.7 1.29 2.85 2.03
117 0.61 S ZYLALDEHy0 90028
$21 0.56 0.44 0.!) 0.61 3.9 0.40 0.67 1.24 0.91
122 0,60 0,41 ..1 3,bO 1.37 3.43 0.72 1.34 0.99
138 3.72 ANISALDEHYDE 123 .15
*35 1,31 1.08 0.25 .53 2.41 3.91 1.66 3.11 2.29
136 0.96 0.76 0,18 1.07 l,7 3.70 1 ,It, 2.18 1.bO
139 P IEN0L 108952
94 1.07 0.84 0.20 1.1$ 1.93 7.1 1.27 2.41 1.17
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terns1/L. ter e1 Start iri File tor toi C1 @s •
C od. Recovery oi000rid te
StI SSJ St i 0 Stu $61 St •t2 Stci • )
110 $25 87 $10 lo S • Is$ • 99
1 71 0, 55 B1(I :P:TAIL 140134
91 0.38 1.25 0.4K 0,19 0•70 3. 1 14 O,Sb
108 0.79 2,a) 1.02 0,40 0.41 3.37 1.17
* 28 0.60 D1 THYLPhTHALA1 131113
77 0.57 $,MJ 0,15 0.79 3,l O.Ob 0.35
163 i.a iI. 7 4.88 1.88 I• 5 3.41 5,51
129 0.70 $3400
91 1.28 4.25 1.83 0.11 0.55 3.13 1.9?
155 0.9) 3,01 1.30 0.50 0.38 3.09
130 0.89 Q1k1I rLPI1T8ALArt. $4bb2
149 2.35 7.192 3.24 1.30 1.02 0.24 3.54
$71 0.59 1.97 0.85 0.33 0.lo 3,06 0.199
131 1.38 D1 UTiLPHTHALA1 84742
57 0.20 0.b 0.28 0.11 0.10 3.02 0.32
149 4.99 16.75 .$8 2.b4 2.52 3. 7,47
*37 0.74 BUTYIJ I:NZYLPI11$#1JATF
91 1.51 5.07 i.95 o.is o.i 3.14 2.24
*49 2.44 8.13 3,15 1,2? 1.26 3.23 3.h2
133 1.04 3IEr 1yLHyLp ,1r ALAr 117811
149 4.02 12.S 4,8W 1,89 1.90 3,35 5.61
$67 1.53 4.7 l.d5 0.11 0.72 7.13 2.13
$34 0.43 BI 41AL,DEH1DE 100521
71 0.25 0,84 0.35 0.13 3.13 3.03 0.319
105 0,719 0.93 0.38 0.15 0.14 3.03 0.42
135 1.05 T3LUAt DEIflDE 529204
91 0.42 1.4$ 0.61 0.24 0.15 3.05 0.64
119 0.50 1.bb 3.72 0.28 0.22 3.05 0.75
136 0, Ol A:E rop 1ENoP 8.’ b2
77 0,51 1.95 0.80 0.31 3.29 3.06 0.87
$05 0.85 2.198 1.18 0.45 0.43 0.09 1.2R
137 0.1,1 54L.ICYLALOE1IY3E 9002w
121 0.4$ 1.35 0.52 0.20 0.21 3.04 0,60
122 0.44 1.46 0.56 3.22 3.23 3.04 0.65
136 0.72 ANISALDE.NYDE 123115
35 1.01 3.35 1.30 0.51 3.53 .09 1.50
136 0.71 2.35 0.91 0.35 0,37 3 , ,7 1.05
139 0.61 108952
94 0,75 2,bO 1.01 0.39 0.41 0.07 1.15
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C.pdl R, ov,ry oepour 3
311 I 4 St 154 SIci 156 S1 157 St 158
861$ 301 2 b Ii • 82 321 ‘i lib 337
340 0 ,62 i t.SuL(P) 30 I4%
307 1,23 0,9) 0 .23 1,40 2.45 3,80 3.29 4.93 2.38
108 1.u7 0 ,82 3.1U 3.24 3.69 3.14 2.58 1.8(
141 0.38 2,I.tJ1w THyLp 4( JL 5J 1S0
30? 0,81 0.6? 0,10 3.3t .si J. 1 U,i5 4.08 1.48
322 0.93 0.13 0,17 3.05 1,bl 3.58 U .9a 2.32 1.5*
142 .51 15R)p .p Ht’e’
121 1.79 1 ,ib 0 .34 2.04 3.45 1.07 1.78 5.10 3.17
lib 0,01 0 ,5 3.32 3.15 3.l 3.39 0.85 3.81 1 .J
14) 3.19 3— lT 4:JP Lu3 . 881 5
85 0.03 0.01 0, )0 J.33 0,33 3,(i 0,33 0,06 0.35
2)9 0.13 0,13 0.02 3.34 v. 11 3.39 0.35 0.71 0.23
344 3.18 4—HL3KiJ.).wLrp l, .. . 59507
lvi 0,9) 0,13 0,27 3.08 1.68 ).5S ‘.,92 1. 4 2. 15
142 1.02 0.11 J.18 1.Io 1. $ ).bl 3.03 4.89 2.31
115 0.89 1. APr 1H03. 93353
115 3.35 0.26 0.08 3.38 0,63 3.20 0.34 0.96 3.12
344 0.t 1 0.45 0,31 0.bl 3.31 0.35 0.29 2.68 1.25
346 0.77 P—T Rr—IiUTfl.P j )L 9 544
131 0.5b 0•4) 0.30 0,b’ 1,33 3.34 0.56 1.60 1.38
135 1.96 1,49 3,35 2.22 3.54 1.17 1.94 5,56 4.33
141 0.63 ?—%IrRJ kLsc3L 3193 )5
71 0.26 0,23 0.05 3,30 1.15 3,07 6.27 0.80 0.43
253 0.14 0,51 0,14 0.8) 1.31 3.46 “.18 1.72 1.23
348 0.81 2,4—ol:tthu 3p €%JL. l?C83?
162 1.33 0.8 (1.21 1.14 1,).) 3,80 1,34 2.52 3.86
164 0.12 0.53 j.L3 3.1 s 1.27 3.51 0.85 3.60 1.18
349 0.30 2.4,b—ri 1CHL3p)p 1 J1. 88)62
196 0 . 1 o. 3 J•35 3,59 1.4$ 3.58 0.97 1.8R 1.34
398 0.83 0.84 J,1S 0.91 1.4b 0.59 0.98 1.90 1.38
150 0.69 328110
205 2.53 1.97 J.11 2.1 i 4.49 1.82 3.03 3,t 4.l
220 U,bl 0 ,S? 3.32 3,iJ 3.38 3.48 0,80 1.49 I.J9
151 0. IfI 2 M r ApHTH4Li:i. . 93576
141 2.03 l.S 0.38 2.23 3.6) 1.44 2.42 4,53 h34
142 2.53 1.9D 0 ,lc 2.lb 4.45 3,79 2.99 5.62 4,1)
152 .50 A ’lAP ’ Tii i . 53329
153 1.26 0.95 ).23 1.3 2.22 3.89 1,49 2.81 2,Oo
154 3.40 2.t4 0.b3 3.7) b.32 2.41 4.04 1.59 5.58
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311 •59 5t3 IbO 311 16$ Std 062 314 It)
4s$ 3$) US ‘02 110 • • 99
$40 U ,6 k .30L(p) 106445
$31 J,W% 1,11 745 344 ).$0 1.11
10 V .1W 7 .53 1.03 0 ,4u 0.39
141 P.5W ?,) 0$T$1Lp, .4j 526150
$07 U, ) 7. 1$ ), 4 0 ,32 0,Ji 3.u1 0,94
I2 (7.64 7.34 3 ,&S 0.11 1 .Ii 3.37 0.95
142 ( ,S? lS1P )P!LPHL ,3L o99
Il l 1.7” 4.19 l . 0 0.71 3.14 3,99
IJ 0.41 l,e I 0,o1 O ,j7 3,11 3,0 5 0.71
$4) 3.49 7— 1TkJPHI )L Me75
65 0.02 0.07 0,)) O,O 3.0$ 0,uO 0.03
1)9 0 9 0.1$ 3,33 0,05 3 .JS 3.01 0,$4
344 I.t 4 sIM ( 7.).wtT4g p & j 59507
137 0,66 2.17 o .’ o ,i o ,Jo 3.01 1,0)
141 0.7? 2,49 1.07 0.42 3,Ji 0.0 1,33
343 0.R9 $— ‘ 0AP4THO(. 3iSi
115 0,73 0.4) a ,36 0 .lj 3,03
344 0.44 I .$S 0.62 3.24 3. IN 0.35
146 0.77 P.TLH1.I4UTYLP I 3L 99 44
107 0.43 3.11 J.ob 3.2) 0.1$ 3.04 0.62
335 3.44 4.7 2.04 0 . Q 0.63 3.15 2.36
347 0.63
77 0,I, 0.63 0,2’) 0,lo 0.09 3,02 0.27
353 0.52 3,14 # .1 I 0.21 D.2a 3,06 0.7w
14W 0,q 1 2 . 4 •OlZo ps DL I?3L 12
362 0,W0 2,73 1,05 0,43 3•$ 3, OH 3.2 ?
1b4 0,s: t.io 0.67 0.26 o,ai ,os 0.77
349 0.10 l. 4 ,b.1P1LJp)p ,
196 0. 5w 1.97 0,76 0.10 •),93
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C.odI Rec o ry oIDou’ui dle
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109 7)6 ha • 82 148 98 116 94 11?
IS) 0.â4 rL.U :NI : 96717
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166 3,07 4.19 0,57 1.44 5 .,S 4.2.1 .1.74 6.99 5.34
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170 2.56 1,9 u,47 2,da 4.a2 1.86 3,11 5,93 4.2)
355 0.66 4MT i94 ..Np 323327
370 3.21 2.41 0.60 3,71 5.74 2,04 3,30 7,43 5,30
156 0.70 32 )33 0
202 4,09 1,75 0.95 5.66 v.73 3.27 5.I 11,54 8.21
357 0.61 9.I0 •0I LTHYLA 19#A € 7814)1
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359 0.95 IF sE .L 738019
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159 1.18 PCHYI 1 F I. 19’ S50
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160 2.04 0I fA dThUTA . 111693
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63 1.71 1.31 0.31 1.9k .3.13 2. 3 1.72 4.91 3.63
93 0,94 0.65 3.15 3.97 1.,4 3.51 4.,84 2.42 1.79
167 0.75 TP1E UT 3LPH0S1’ri 1 . 326139
99 4.03 3.10 0.15 4,05 1,23 2.56 4.24 9.28 6,6)
155 0.88 C.6’) 0,lb 1.01 1.51 3.56 O.Q2 2.02 1.44
163 0 .1$ Oyr)RENz3FJkA (1,3; 4 6162
91 0.68 0.52 0,13 3.19 1.25 0.43 0.72 1.59 1.13
120 0.07 0,75 3,18 1.12 1.67 ),bb 0.78 2.16 3.54
164 0.58 oIr o ENzENE 989s3
77 0,06 0.61 0.16 0.94 1.51 3.61 1.02 1.91 1.40
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165 0,50 RE zurH1Az0L.E 951b9
235 1,56 1.21 0,29 1.73 2,7 , 1.11 1.86 3.47 2.55
166 0,48 PF Y! AR8AMArc 132090
94 1.23 0.96 3.23 2.44 2.21 0.79 1.31 2.98 l.Ob
131 0.02 0.01 3.00 0.02 0.31 3.01 0.02 3.04 0,33
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lab 0.72 8 YLSULF 13p .
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169 0.67 DIP 227o39
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352 1.33 2,05 ,7 ’ , i,ss 2, t 3.82 1,31 3.9. 2.91
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79 0,44 0,3* 3.08 3.51 0,19 3.30 (1.50 3.10 0,18
174 0.03 tr)L.Ul31?4 13t490
236 3,99 0,69 0,lb 0,97 1.57 3,b4 1.37 3.97 1.45
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137 0.22 0.36 0.04 0.24 0,3) 3.13 0.21 0.61 0,4’,
176 0.01 P—’ 1TAN1L . 100(,36
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138 0.56 0.45 0.11 0.67 1.01 3.35 t).SFj 1.68 0.22
177 0.02 54155
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133 0,23 0.21 3.05 0.32 0,$ 3.17 0,29 0.3 0.45
178 3.01 D1Y)X$ 1.AMl 131837
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138 0,96 0.76 0,19 1.12 1 . 43 0.61 1.02 3.15 2.25
179 0.03 N—DLC9 . *24185
43 1.47 1.11 0.26 1.67 2.56 0.88 1.46 4.18 3.09
57 1.42 1,08 0.25 1.64 2.63 3.85 1.41 4.05 i,30
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CsDd . ecovery otpo ii ri e
t1 159 St3 $60 St i s6 StcI $6? Std 163
110 12% 2 110 ?b4 • 189
$67 2.0% 2.4 •$’JITR0FJLLJ ’ I 12*1 4 ?
89 0.27 0,88 3.3’ 0,13 3.14 3.03 0 .39
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218 0,bl 2. 6 1.02 0.29 0.30 3.01 1,07
270 0, 1* fR1Ptt€P i..PpI3sppi&fl; $15866
315 3. 6,58 2.55 0,15 I.U3 3.18 0,78
326 0,06 0.2? 0.38 0,03 3,03 3.01 1.02
$71 0 ,81 01PyL.wppi 3 y 5 7 59
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112 0.72
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351 1.03 3.43 1,4b c .si 0.41 3.11 1.54
173 0.01 PY tDL ’ E 110861
52 0,20 0,68 0,28 0.1 0.10 3.02 0.30
79 0,33 1,11 0.42 0.16 0.17 0.04 0,50
Ill 0.01 rot u11 E 10649J
tUb 0,65 2.1% 0.83 0.32 0.Ii 0,06 0,96
137 0.52 1,13 0.61 0.26 0.2b 3.05 C.77
175 0.01 LUTLDI € 108485
106 0.10 0.33 0,14 0.05 0.04 3.01 0.15
107 0,tS 0,54 ‘J,lJ 0,09 0.Ob 3,0 1 0.24
116 0.0$ P— 1TR)AH1LIP 100’jl6
65 0.34 1.13 0.49 0.19 0.14 0.04 0.51
138 0.43 1,94 3,62 0.24 3.19 3.05 0.65
177 0.01 IOT1 41 54155
84 0.82 2.74 1.12 0.43 0.41 3.09 1.22
133 0.19 0.6; 0.26 0.10 0.10 3.02 0.29
178 0,01 DIY L)H .XyLAMj E 101837
56 0,25 0.81 0.33 0.14 0.09 0.03 0.38
138 0.71 2,34 0.95 0.40 0,16 3.08 1.09
179 0.01 N—DEC E 124185
43 1.05 3.59 1.55 0.bO 0.47 3.11 1,62
51 t.ul 3.48 1,50 0.58 0,16 3.11 1.59
96
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1ntern I/’.ztet’i.l 5tan rd File toT 13d Cidis I S
CIDdI ecovery olpoU! d Name
St I 2 511 s54 Std •Sb Std 157 814 I S O
Mass 1O 236 13 82 128 98 136 84 112
180 0.01 .TR3Dt At I 629505
43 2.18 1.64 0.34 2.48 3.95 1.30 2.ib b.20 4.58
57 2.75 2,09 0,50 3.14 5.3% 1.66 4.71 7,93 5.86
181 0.01 N.TETRADECANE 629594
43 2,52 1.92 0.45 2.88 4.SR 1.51 2.53 7.19 5.31
51 3.40 2.55 0.61 j,87 6.16 2.33 3.17 9,bl 7,35
182 0.01 N.pEtlT Dt.CANE 692b29
57 2.18 2.14 0.52 3.22 4.99 1.77 2.94 6.47 4.62
71 3.73 1.33 0.32 2.01 3.11 1.10 1.83 4.03 2.81
183 0,01 544763
43 1,9C 1,45 0.34 2.16 3,45 1.13 1.89 5,41 3.99
57 2.72 2.08 3,49 3,11 4.96 1.63 2.71 7,70 5.74
184 0.01 N. ’F.PTAD .CANE 6 2 Q787
57 3.33 2.4% 3,58 3.6% 5.59 1.99 3.30 7,25 5.17
71 2.07 1.60 0.38 2.39 3.73 .32 2.18 4.80 3.42
185 0.0% —0T4D .CA . 593453
57 2.99 2,51 0.59 3.75 5.9 1.88 3.14 8.96 6.63
71 1.98 %.bD 0.39 2..d 3.95 1.25 2.00 5.95 4.41
186 0.01 629952
71 2.12 1.61 .38 2.42 3.85 1.21 2.11 6.04 4.47
85 1.42 0.25 1.61 2.57 3.85 1.41 4.03 2,98
181 0.01 N—EICDSAN€ 1112958
51 4.43 3.41 0.82 5.11 7.92 Z.H2 4.66 10.26 7.32
71 3.03 2.33 0.56 3,50 5.43 1.93 3.19 1,03 5.01
388 0.01 .IiEN 1DSAN€ 629941
51 3.9) 2.96 0,10 4.43 1.35 2.32 3,Ob 11,05 8.20
71 2,71 2.05 J.4d 3.01 4.88 1.61 2.67 7,65 5,68
189 3.01 P4 D0C)SANE 629970
57 3.73 2.98 0.10 4.46 7.10 2.33 3.88 11.11 8.26
71 1.60 2.08 0.49 3.11 4,96 1.63 2.70 7.76 5.77
190 0.01 —TP1 SANE 638615
57 3,99 3.19 0.75 4.71 7.öO 2.49 4.14 11.65 8.83
11 2.80 2.24 3.53 3.35 5.34 1.75 2.91 8.33 6.20
191 3.01 ‘Q.TKYL,bZEN SULF0NAt
71 1.24 0.9 0.22 1.41 2.25 0.74 1.23 3.54 2.51
172 0,44 0.34 0 .0 0.50 0.80 3./6 0.44 1.26 0,93
192 0,01 METHYL T0t.UE iEStJLFUNATE(?)
91 1.f 0 1.21 0.29 1.81 2.8 0.95 1,58 4.53 3.35
55 0.72 0.54 0.13 0.61 1.fl 3.42 0.71 2.02 1,50
97
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C PdI ec3very 0 0Jfld Nó
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110 125 82 130 264 — 388 99
330 0.03 N —tKI0( AP .I; b?9505
4) 1.36 5.31 2.3L) 0.89 J .10 3, 31 7.63
57 3,99 6.15 2.94 1.14 0.7b 3.23 3.09
381 0.01 •TRADrCA 62.594
41 1.86 6.19 2 ,b7 1,33 0.$0 3 ,39 2.H0
51 2,50 ,)3 1.57 1.19 3.3w 3.26 .1,77
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57 3.94 6.52 2.bk 1.03 3.99 3.22 2.92
71 1.2% 4.06 1 ,b1 0,64 0.62 3,14 3,8 1
383 3.03 #.PftXA OLZA? .E 5441b3
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57 2.0% 6.73 2.88 3.12 3.87 3.21 3.0)
334 0.01 N—H PTA0 CA E b297d#
57 2.18 7.32 3.01 1.16 1.11 3.24 3.27
71 3.44 4.85 1.99 0.77 0.73 3.16 2.17
385 0,03 N.0T D ANE 593453
57 2.31 8.10 3.48 1.35 1,01 3.24 3.65
ii 1.55 5.35 2.30 0.89 0.5i 3,06 1.41
186 0.01 ‘ •94DLCAN 629952
71 1.51 5.27 2.24 0.87 o.b 3.16 2,35
85 1.01 3.41 1.50 ).b8 0,45 3.31 1.81
187 0.0$ N— 1C)5ANI. 1112958
57 3.08 30.35 4.25 1.63 3.51 3.35 a, 63
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188 0.01 ‘ ‘DP ,C1C3SA E 629947
57 2.73 9,53 4.11 l.bO 1.07 0.30 4.31
71 1.89 6.60 2.85 3.10 0.74 3.21 2.99
189 0.01 q—Du JSAN 6291?0
51 2.89 9.63 4.14 1.60 1.22 3.30 4.35
71 2.02 6.71 2.89 1.12 3.bS 3.21 3.04
190 0.01 N—r IZ3sANI. 638675
57 3,30 10:23 4.42 1,71 1,29 3,32 4,b S
11 2,1(1 7.22 3.11 1.20 0.90 3.22 3.21
19$ 0.01 M THY( ,8ENZ IESULr0NATE
77 0.91 3.04 1.31 3.51 0.40 3.09 1.38
172 0.32 1.08 3.47 0.18 3.14 3.03 0.49
192 0.01 ‘4F.THyLTOL.jESuL ’OqAr ( P)
91 1.11 3.90 1.68 0.65 3.51 3.32 1.76
155 0.5? 1.7f 0,7 0. 9 0.23 3.05 0.19
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109 23b 136 • bJ I4 98 1*6 04 112
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142 0.94 0.12 3,31 $,3( 3 7l 3,60 0.99 2.29 I,bj
194 0.0* P ’1TAHUNUP.IP JL
264 0.29 0,12 0.03 3.34 0.54 3.19 0.31 0.72 0,52
266 0.47 0,3o 0,u9 0,55 u,fl ).32 u. 54 l,1 u.94
*93 3.33 B1PH 3IL. 92524
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196 0.01 I.$•U1TPI IAPP41I4A EP 5614*5
143 1.59 l .l 0.29 1.74 2.82 1.13 1.89 1.55 2.61
156 2.30 1,19 3.42 1.52 4 .J7 1.63 .73 5.33 1.11
197 0.01 ourvL:*kBAHAT 34994775
4* 0.40 0,36 o.es 3.54 0.86 3.28 0.47 1.35 1,30
59 0,24 0.26 0.05 0.29 0.47 3.15 O,2 0,12 0.’ 4
398 0.01 D!—T•8UTyLD3suLr1o : hoots
4* 0,1) 0,56 0.11 0,84 1.34 D. 4 u.1.; 2.10 1.55
57 3.09 2.36 0 .Sb 3,54 5.64 3.85 .1.39 b .84 6.54
199 0.01 ALDk1 309002
66 1.33 1.0) 0,14 1.49 2.43 0,97 1, 2 3 (i3 2.23
263 0,60 0,46 0.11 3.61 1 .3 3,44 0,73 1.36 1.J0
200 C,01 MLN1KL .Uk 1D . 100447
91 1.55 3.38 0.2H 1,77 2.82 3.93 1.5 4.42 3.2$
126 0.42 0.32 0.08 0.48 0,16 3.25 u.’2 1.20 0.89
201 0•47 4—LuN p .3rp1( b?J03)
102 0.55 0.42 3,10 3.b3 u, 3,i3 0.55 1.57 1.10
*37 2.10 3,51 ...36 2,3 3.7 3.15 .08 5,95 4,40
202 0,80 3 — 0RZALHyO . 587042
Ill 0.Ob 0,05 0.01 0.08 0.3? 0.04 0.01 O.2(j 0.14
139 0.32 0.13 0,02 .Ib 0.24 3.08 0.3) 0,38 0.2$
20.3 0.50 3—IiL) (JAP 1SnLE le0518
12 0,60 0,46 0.1! D.b9 2.39 3.36 0.60 1.1) 1.27
142 1,32 1.00 0.14 (.50 2.43 3,19 1.31 3.76 2.7$
204 0.01 Ht.OHJ8EP4ZAMIOE b19567
139 0.70 0.55 0.13 0.17 1.25 3.50 0.84 1.57 1.lh
155 0,38 0,33 0.07 0.42 0.63 3.21 ‘.46 0.3 5 0.bi
205 0.55 6281383
17) 0,43 , 0,39 0.09 3.Sh 0.9) 3.31 0.’.7 1.46 1,07
174 0.32 0,26 0.06 0.39 0.62 3.21 J ,34 0.98 0.12
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194 0,01 Y? LUP 1 JL.
764 0.20 0.68 3.2$ 0.51 3.15 3.02 0.31
206 0.36 1.11 0,45 0.07 0.1$ 0.04 0,50
195 3.3% 1 1PH* IIL. 92524
154 1,6 ’ 5.52 2.14 0.0) 0.07 3.16 2.46
*96 0.0 1.$.D5wETHyL iAPHrsAI.i C 569455
141 1.16 1 .hI 1.49 0.50 0.60 0,11 5.7 5
156 1.67 5,55 7.15 0,03 3.01 ), Ib 2,4$
597 0,01 bUTT &RH& 415 1499477 ’ ,
45 0,35 5.50 0.50 0.u9 3.55 0.52
59 0.19 0.6) 0,71 0.51 0.ON 0.7$
198 0,01 01 T•nUT1L0l3utJ1tJI lIDObS
41 0,54 1.7$ 0.10 01)1 t).I0 3,06 0.07
57 1.21 7.62 3,29 1.27 1.30 3.14 1.’)
199 0 ,01 &l U5 1 )u9C07
66 0,99 3.20 1.21 0.49 ). I 3,09 1.46
263 0.44 1.4? 0.57 .22 0.23 3,04 0, 66
200 3,01 b LHL.OPI0 . 103447
91 5.13 3.01 1.64 0,64 3.50 3,12 1.15
126 0.30 5.03 0,45 0.11 3.1 4 3,01 0 ,47
20 ! 0,47 67)0 ,3
132 0.39 1.35 3.50 0.2) 3.10 3,04 Dabs
*37 1.4 5.12 2.21 0 , S 0,bJ 3.16 2.1?
202 0, 0 3—JP0 t ZAL3L l!0L 5R7042
111 0.35 0.11 O . .7 0.(,3 3.32 0,00 0•(JII
1)9 0.10 0.32 3.14 0,05 3,34 3.0* 0 ,55
233 0. .0 3—14L3’ 0AM1S0L lbbSlO
*21 0.43 1.48 0.b4 0.25 3.57 3.05 0.6?
142 3Q94 3.24 1.40 0.54 0.36 r, , 50 1.46
0.0% L0PD9ZAM13 659561
139 0.51 1.13 0,bb 0.26 0,21 3 ,05 0 .76
155 0.28 0.92 3.lb 0.14 3.15 3.0) 0.4*
235 0.55 3,4—114L0BZ? 1JLH*2E 6201303
5? ) 0,37 1.25 0.54 0.21 3.11 3.04 0.51
1.4 0,25 0.04 0.36 0.14 0.1* 3,03 0,30
100
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1r t.rr%.1/Egt,r,’ .1 1*nie I1e or ,p C143 1 • S
CsDds ReC v. y D.Poon 3 6 isc
Std 0 2 51i • 4 Std • b Stu 157 Std 050
309 7 )6 I) • dTl t2 9 1*6 64 *12
206 1.07 l..4•rcu 3bEhzt 123s7$
$45 0,14 0.76 0,1)6 0.40 0.61 3.27 0,36 0.$O 0.51
ieo i.jo 3,24 &,5J 2.43 3.dJ 3.11 1,(3 2.16
237 0 • 03 2 • ‘4 l 0 3 • 3 •: 3k j I: Z E b 94804
190 0,10 0,b 0.34 3. ,’. 3 .J 3.55 0.92 1,74 t .7
*97 1.04 0, $ 0.19 1.14 1.,4 0.74 3.44 4.3) 1,11
200 0, 4 1I2•DIHLtD &P’4T’4*L 73 0691
361 0.14 0,34 0 u. u,Su u .73 3.2t 0,46 3,01 0.12
396 2.17 1.67 3,40 4.S 1.48 $.i 2.79 5.03 1.SH
209 0,SJ s.z. 4 ,s—T’.1 &:3 ’ 4L z . 95943
234 3.30 0.9 0.22 3.19 2.3 3.04 1.40 2,63 1.94
ill) I.S4 2.lt’ U.lII 1.69 7.#2 3.09 3.83 3,43 7.52
230 0,43 P—D1 ’ 40$ 1 ,ZE j . 136376
234 0.68 0.52 0.12 3.17 1.13 3.41 0.67 3.93 3.43
236 3,21 1.03 3.2) 1,4s 2.16 3.78 3,10 3,71 2.93
113 0.80 4 • ’ 4H0 ’41D1TLI .TH k 6452499
:46 :.oo 0,133 3.20 1.19 l . 2 3,77 1,79 2,47 I.7 ,
) O 1.3) 0 ,.i 0,fl I .lb 1,34 3.82 1.37 2.57 L.d9
212 0.9% I1E ACOPoz p: 318743
204 0.74 0.56 0.33 0. 4 1,34 0 ,44 0.73 2,10 3.55
786 0,60 Q .4 0.11 3.b8 3.38 3.36 0.59 3.70 1.26
101
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Intern,1/LIterr%al 5tdn rd File br pd C1 ss I 5
mpds Recovery orpounl Piane
Stl 159 St 160 SLd 161 Std b2 Std 163
M i i i 110 125 82 110 264 • 188 • 99
206 1.07 1.2,4—TH ICHLOR .h 123821
145 0.24 0.14) 0.33 0,13 0.12 0.03 0.36
180 0.89 1.05 1,25 0.48 3.4b 3,Iu 1.36
207 fl.0t ?.b u 3.i—CP3BE tSE 694804
190 0.57 1.88 0.13 0.28 0.30 0.05 0.84
1 2 0,76 2.52 0,98 0,3k 0,4u 3,0’ 1.12
208 0,68 I,2—Dt:HLopoPdApHrHALL E 2350b93
161 0.31 1.02 0.42 0.16 3,15 3.03 0.46
196 1.52 5.08 2,08 0. 0 0.16 3.11 2.27
209 3.51 L.2,4 ,S—T TRALDH0 E d 95943
214 0.86 2.85 i.i 0.43 0.45 3.08 1.27
716 1.12 3.72 1.44 0.56 0.58 3.11 1.66
210 0,43 P—0Ib 3M0 .ZE’ . 136376
231 0.49 1.bb 0.72 0.28 3,19 0.05 0.15
436 0.9J 3.18 1.3w 0,53 0.45 3.10 1.45
211 0.80 4—t4f4U’J0 I ‘Ift.P4 Y LE THLR 6452499
248 0.79 2.61 1,01 0.39 0,41 3,07 1.17
250 0.84 2.18 1.08 0.42 3.44 0,08 1.24
212 0.95 HEXACHt 0 .NZ€t ’ 118741
284 0.53 I. 3 0.78 0.30 3.24 3.06 0.82
28b 0,43 1.46 0,63 0.24 0.19 0,05 0,66
102
-------
Table 8-6. RMRs AND RECOVERIES FOR WABN CO 1POUNDS
(BLLE, pH 8.0/FRACTION NO. 3)
Class No. 6
£tandard ID No.
Standard Name
2
4-Fluoro-2-iodotoluene (external)
54
d 8 -Naphthalene (interr.al)
56
d 5 -Nit.robenzene (internal)
57
d 10 -o—Xylene (internal)
58
d 5 -Phenylethanol (internal)
q
4 5 -Acetophenone (internal)
60
d 5 -Propiophenone (internal)
61
d 12 -Perylene (internal)
62
d 9 -Acridine (internal)
t3
d,—Phenol (internal)
103
-------
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a 5 p cop 9 ophin one
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1flLernsL/ ternii St ni rd File pl Class I 6
C.oa• Reeoveyy Cospound N4me
Std • 2 St3 054 Std 056 SId 057 Std 059
109 23b 136 — 82 129 98 116 84 $12
100 0,01 PyPl01 E 21096$
52 0,29 0,22 0,us 0.33 ()•5$ 3.19 0.32 0.61 0.48
79 0,44 0.34 0.09 3,51 0 .7d 3.30 0,50 1.10 0.78
101 0.01 ALP8A.p1Co [ .1, 139ubs
bb 0.26 0.2) 0,0S 3,30 0.46 3.lb 0.27 0.59 0.42
93 0,66 0.5$ 0.12 0.10 1.18 3.40 0.bb 1.52 1.09
102 0.01 A. l1L i &. 6253)
66 0,23 0.19 3,04 0.28 0.4$ 0,15 0.14 0.53 0.38
93 0,76 0,54 0.13 0.82 1.25 3.45 0.74 1.62 1.15
$03 0.01 Lur2t)1 E 208485
106 0,23 0,23 0,02 0.2 0.25 3.08 0.13 0,39 0.28
107 0,22 0,16 0,04 0,24 0,39 3.13 0.21 0.61 0.45
$04 0.01 r3Lulo1 (p) 13b490
206 0,84 o, 3.!.’ ). ,7 2.57 0,64 1,07 1.97 2.45
107 U,7$ 0,56 3.13 u.s8 1.27 3.51 O.Bb 1.58 1.16
135 0.0$ 1N00L. 110729
93 0,71 0.54 0,11 0.82 1.30 0.43 0.7$ 2.04 1.51
117 1.92 1.45 0.34 2.11 1.45 1,14 1.89 5,43 4.02
lOb 0.01 2.3.b.1P1TH1LPVR1D1 I 146284b
120 0.66 0, $ 0,12 0.lb 1.18 3,41 0.69 1,53 1.09
lfl ,90 0.69 0,17 1.33 1.63 3,55 0.91 2,08 1.49
107 0,01 2,b—D1MLTH L.A 1LI1hF. 1303731i
106 0.1L 0.21 0.06 0.41 0,bS 3.21 0.38 1.02 0,15
121 0 57 0,44 0,10 0.bb 1,34 3.34 0 , 7 1.b4 1,21
109 0.01 W. HL)RUAN1L1’4 108429
121 1.09 0.91 3,20 I.2o 1.94 J.69 1.15 2.52 1.79
129 0.34 0.26 O.Ob 3,2w 0.63 3.22 0.36 0.78 O.So
109 0.01 U2NUL1 ,P 91225
129 2.82 1.41 0.34 1,99 3,22 1.30 2.17 4.06 2,98
110 0.01 P—h11P3 r 1L1NE tOutils
65 0.44 0.35 0.0 3.52 0.83 3.27 0.46 1.30 0,91
138 0,56 0,45 0,11 0.61 1,01 0.35 0,Sa i,88 0.22
111 0.01 2,4 O1wETHyl0j1tJ)Lp 3198374
156 0.41 0.32 0.08 3.47 0.15 0.26 0,43 0.95 0.b8
157 2.02 1,54 0.31 2.31 3.59 1.27 2.11 4.64 3.31
123 0.01 ‘4lZ0Ti fr 54115
84 1.17 0,90 0.22 1.35 2.39 3.74 1.23 2,10 1 2
113 0.29 CS 0. 1)5 0.32 0.49 3.17 0.29 0.63 0,45
106
-------
1flternij/Extern 1 Stanlird File t3r bpd CIdss a 6
Cm d• Recovery Compound Ua ,e
St 059 Sti ibO Std .61 Std $62 Std 163
Mali 110 125 82 110 264 • 188 — 99
100 0.01 PYPI01 110861
52 0.20 0,68 0.26 0.11 0,10 0.02 0.30
79 0.33 1.11 3,42 0.16 0,11 3.04 0.50
101 0,01 ALPHA—PICUL.INC 109068
bb 0,18 0,60 0.25 0.09 0.09 3.02 0.27
91 0.46 1.54 0.6,3 0.24 0.23 0.05 0,69
102 0.01 A’.ILI c 62513
66 0.11 0.56 0.22 0.09 0.08 3.02 0,24
93 0,49 1.6 0,61 0.76 3.24 3.05 0.73
103 0,01 Lur1Dl. 10b485
lOb 0.10 0.33 0.14 0.05 0.04 3.01 0.15
107 0,16 0.52 0.23 0,09 0.Ob 3,02 0.24
104 0,01 ? )LU131NF.(p) 106490
IC6 0,65 2.15 0.83 0,32 0.32 Q,ob 0.96
101 0,52 1.73 0,67 0.26 0.26 3.05 0,77
lOS 0,01 INDOUE 12G729
90 0,51 1,75 0 ,7b 0.29 3.23 0,79
117 1.40 4.68 2.02 0.18 O ,bl 2.12
106 0.01 2.3,6-TRIM .TI1ybpypJD1 1462846
120 0.46 1.54 0,63 0.24 0.23 0.(i5 0,67
121 0.62 2.13 0,86 0.33 3.i, 3.07 0,94
107 0.01 2,6—D1METHYLAMit It4. 1303738
106 0,26 0.80 0.38 0.15 3.11 3,03 0.40
121 0.42 1.41 (1.61 0.24 0,18 0.04 0.64
108 0.01 M—IiL.3P0AP 1L,1.’4E 108429
127 0,76 2.55 1,05 0.40 0.38 3.98 1.14
129 0.24 0,7 3.33 0.13 - 0.12 3,03 0.35
109 0,01 QUIN0L1P 91225
129 1.33 4.43 1.10 0.66 3.69 3.12 1.9b
110 0.01 P—U ITR3ANIL1NE 100316
05 0.34 1.13 0.49 0.19 0.14 0.04 0.51
138 0,43 1,84 0,62 0.24 0.19 0,05 0.65
111 0,01 2,4—01M€THy [ ,Qu1’ 3L1’.E 119b37’
156 0,29 0. 6 0.40 0.15 0.15 0.03 0.43
157 1.46 4.69 1.93 0.74 3.71 3.15 2.09
113 0.01 NI 0TI . 54115
84 0,82 2.74 1,12 0.43 0.41 3.09 1.22
133 0.19 0,64 0 .2h 0.10 0.10 0.02 0.29
107
-------
1ntern.1/E terr 1 Stafld rd F11 tor 1 pu C1as • 6
Cmpdl
Mass
Re ov ry
sti • 2
109 23b
o,ipound P ie
St.I i54 Sti .56
1 )6 • 82 128
Std
98
$51
136
SId
b4
$58
112
114
167
0.01
3,73 2,88
&I BA?.DLE 86148
0.69 4.30 6.56
6.67
115
169
169
0.01
b ,’9 5.11
12.12 9.45
2—AMIJ3IPHCNYI, 90445
‘.20 7.65 12.18
2.22 14.15 22.54
14.11
26.19
116
166
169
0.01
1.48 1.14
2.79 2.15
DiP .‘dYLAM1 : 122194
0.27 1.11 2.b5
0.52 3.22 4.99
2.45
4.b O
$17
56
138
0,01
0.13 0.37
0,96 0.76
D1YC X L A”1 10 18
0.06 0.39 0.63
0.18 1.11 1.83
0.78
2.25
116
100
142
0.01
0.42 0,31
1.51 1.18
TRUrYLA 1P E. 102829
0.08 0.40 0.75
0.28 1.71 2.14
0,69
2.51
119
109
194
0.01
0.10 0.09
0.19 0.35
F 1N 580r32
0.02 0.11 0.17
0.04 3.22 0.34
0.16
0.37
20
91
397
0.01
1,62 1.26
0.13 0,11
D1hZI AH3N $03491
0.30 1.18 2.87
3.03 0.15 0.24
2.67
0.22
121
50
59
0.01
4.7? h
0.11 0.13
‘ .D1ML1HYLDLYL. MI F.
0.81 5.41 8.83
0.03 0.20 0.33
8.16
0.29
122
200
215
0.01
2,75 2.20
1.61 1.34
ArR&z1s : 1912249
0.52 3.28 5.23
0.31 2.0(’ 3.18
5,09
3.71
123
43
58
0.01
1.21 0.94
0,15 0.58
H PTA ’d0NLc2) 110433
0.22 1.33 2.14
3.14 0.83 1.33
2.09
1.25
124
41
51
0.01
0 .?1 0.11
0.55 0.42
AUTOXYETHAN3L 111162
0.04 0.25 0.40
0.10 0.63 1.03
0.35
0.91
125
4.
59
3.01
3,30 1.01
1,0? 0.79
2—3CT S3NE 11113/
0.24 1.43 2.31
0.19 1,11 1.Hj
2.15
1.57
126
57
75
0.01
1.18 1.11
0.44 0.34
8UTYLPFOPIUNArE 5UI)012
0.27 1.7! 2.73
0.08 0.51 0.82
).90
0.27
1.49
0 ,45
4.27
1.26
3.35
0,95
2,31
4,b l
7.42
0.94
I .77
37
3.2%
3.61
0.27
3.9?
0.06
3.32
1.16
3,10
1
171 M5
3.58
3.13
1,72
1 .05
0.85
3.53
0.13
3.35
0.91
0.71
3.92
6.67
12.30
1.56
2.93
0,35
1.0?
0.44
1,61
0.10
0.20
1 .14
0.36
5.99
0.21
2.86
1.74
1.14
0.89
U • 27
0.58
1.53
1.19
9.36
39.13
35.40
3.43
6.45
1.10
3.15
0.97
3.52
0.23
0.44
3.63
0.30
1) ,U
0.40
H • 13
4.97
2.32
1 .69
0.49
1.27
2.92
2,27
108
-------
Internal/Extarnal Stdndard Itle br pd Class S 6
Cmpdl Reeovery o ound Name
Std 559 St 060 Std ‘61 Std sf2 Std 063
Miss 110 125 82 110 264 • 18$ 99
0.01 C RRAZ3L.I 86748
167 2,60 8.72 3,57 1.37 1.2$ 3.3)
115 0.01 2—AM) 8LPHLNYL 91)445
168 4.75 16,46 1.10 2.75 2.13 0.51 7,45
169 9.82 30.44 13,14 5,08 3.9b 3.95 13.60
lIb 0.01 O1PHyLAMIP E 122394
168 1,03 3,47 1.42 0.55 0.52 3.1) 1.55
169 1,94 6.46 2.68 1,03 0.9b 0.22 2.91
117 0.01 D1TCL. HLAA 4I ft 101837
Sb 0,25 0,8) 0,3) 0.14 0.09 0,03 0.38
138 0.71 2,34 0.95 0.40 3.26 3,08 1,09
118 0.0* fi 1IiU1YLAMIN1. 102829
100 0.29 0.99 0.41 0.16 0.15 0,03 0,44
142 0,99 3,34 1,47 0.57 0.53 3.12 1.59
119 0.01 CA F I 4E 58092
109 0,07 0,23 0,09 0.04 0.04 3.01 0,10
194 0,13 0,4’, 3.18 0.07 0.07 3.02 0,21
12 0.01 01BFU1 LAM1P.E 103491
9) 1,18 3.91 1.52 0.59 0.b2 3.11 1.74
191 0,10 0.32 0.13 0.05 0.05 3,01 0.14
121 0.01 N,N—01TI1YL0Dt EYL M1 E 112185
58 3.62 12.02 4.66 1.81 1.81 0.34 5.37
59 0,13 0,43 0,17 0,06 0.07 0,01 0.19
122 0,01 ATPAZ1 I 1912249
200 2,13 1.01 3.05 1.18 3.90 3.22 3,2b
2 )5 1.21 4,30 1.85 0.72 0.55 3,13 1,95
123 0.01 PT4 ’ J . .(2) 11O4 0
43 0,88 2.91 1.13 0.44 0.47 3.08 1.30
58 0.55 1.82 0.71 0.21 3.29 3.05 0.61
124 0.01 BUT JX1 TI1AN0L 111762
41 0,15 0.49 0.20 0.09 0.07 3.02 0.22
51 0,38 1.28 0,52 0.20 0.19 0.04 0.51
125 0.01 2—DZr uNE 111131
43 0.95 3.14 1.22 0,41 0.51 - 3.09 1.40
58 0.74 2.45 0.95 0.37 0.39 3,07 1.09
126 0.01 RUTYI,PROP IONArE 5903*2
57 1.11 3.69 1,59 0.61 0.48 3.12 1,bb
75 0,33 1.11 0.48 0.19 0.15 0.04 0,50
109
-------
Intern / xteir a1 Stan i3rd rile for tpd Class i 6
Cspdl Recovery Coipourid P .a e
Std P 2 Std $54 Sto ‘56 St’j •S7 Std $58
Masi 109 23b 136 • 8 4 126 98 116 84 112
127 0.01 ISIi3PONI. 78591
62 1,77 3,36 0.33 2,04 3,17 1,13 1.86 4.11 2.93
138 0.39 0.3) 0.07 3.45 0,12 3.25 0.41 0,90 0,64
128 0.01 FENCH NC 1i’ s7s9
69 0,66 0,51 0.12 0.72 1.31 3,41 0,18 1,47 1,08
81 1.44 1.12 0,27 1.58 2.55 1.02 1.71 3.22 2,36
129 0.01 4LPHA.IERPINFDL 98555
59 0,56 0.4) 0,10 0.65 1.30 0.36 0.59 1,31 0,93
136 0,31 0.25 3.06 0,37 0.53 0.21 0.34 0.15 0.,j
130 0.CI N—0 A’ 0L. 312301
41 0.40 0.31 0.07 .4b 0.74 3.25 0.42 0.92 0.66
43 0.44 0.34 0,08 0.51 0.79 3.28 0,4b 1.02 0.73
131 0.01 0L LTt YL.AD1PATE 621930
59 0,56 0,45 0.10 0 .b4 1.33 3, l 0.69 1.29 0.95
114 0.41 0.35 0.08 3.49 0.1 3.32 0.54 1.00 0.14
132 0.Ct THST AKAT 112b18
74 3.42 2.65 0.bJ 3,B’l h.28 2.54 4.25 7.90 5.81
87 1.22 1,72 0.41 2.52 4.37 1.65 2,7o 5,13 3.71
lii 0.01 Ui ldS
4) 1.47 1.11 0,26 1.61 2.bS 3,88 1.46 4,18 3.09
57 1.32 1.08 0.25 1.84 2.81 3.85 1.41 4,C5 3.30
114 0,01 M.TH IDECANE 629505
43 2,18 1.64 0,34 2.48 3 . 5 1.30 2.16 6,20 4,58
51 2.15 2.09 0,50 3.14 5.31 1,bb 2,11 1.93 5.86
135 0.01 •1ETfUDECtt 4 . o29594
43 2,52 1e92 0.45 2 .i18 4,s 1.51 2.51 7.19 5.31
57 3.40 2.55 3.61 3.97 b.1S 2.03 3.37 9.67 7.15
136 0.01 h—P1 1fCAP . 692à29
57 2 .7 2.14 0.52 3.21 4. 9 1.11 2.94 6.47 4.62
11 1.73 1.33 0.32 2.01 3. .I 3.10 1.83 4.03 2.61
131 0,01 N—H X DECANE 5441b3
43 1.90 1.45 0.34 2.16 3,45 1.13 1.89 5.41 4,99
57 2,72 2.08 0.49 3.11 4,96 1.63 2,71 1.78 5.14
138 0.01 —H PTA0ECA l . 529787
51 3.13 2.41 0.58 3.bl 5.59 1.99 . O 7,25 5.17
11 2.1)7 1.63 0.38 2.39 3.70 1.. 2 1.38 4,80 3,42
139 .O1 N.DCTADECANE 593453
57 2.99 2.51 0,59 3,75 5.98 1.88 3.14 8,96 6.63
71 i,qs 1.66 3.39 2.48 3.95 1.25 2.06 5.95 4.41
1 10
-------
Intern,1/Ex err a1 Stan 1ard File for >pd C1as I 6
Cmp I Recovery Co ruund P ane
St .59 Std 160 Std ‘61 SId $62 Std 163
110 125 82 110 2b4 — 198 99
127 0.01 1S0P lDRUNE 78591
82 1.23 4.14 1.10 0.65 0.b2 3.14 1,80
139 0.27 0.91 0,37 0.34 0.14 0.03 0.43
128 0.01 FENCH3N( 3195759
69 0,48 1,58 0.62 0.24 0.25 0.05 0.71
81 1.05 3.45 3.35 0.52 3.55 3.10 3.55
129 0.01 ALp iA—rLRP1NI.3L 98555
59 0.39 1.33 0.54 0.21 0.20 0.04 0,58
lib 0.23 0,16 0,33 0.12 0.11 0.03 0,34
130 0.01 N—UECAN OL 112301
41 0.29 0, 3 0.38 0.15 0.14 3.0) 0.41
4) 0.31 1,63 3,42 0.16 0.35 3.03 0.46
131 0.01 DHET’ Yt.AD1PATE b21930
59 0,42 1.4) 0.54 0.21 3.22 0.04 0, 2
114 0.33 1.08 0.42 0.16 0.17 3.03 0.49
132 0.03 4ETHYLSTEARAfl 112618
74 2.58 8.56 3.32 1.29 1.33 3.24 3.83
81 1,67 5.55 2,15 0.83 0.81 3.16 2.48
133 0.01 124385
43 1.05 3.59 1.55 0.60 0.41 3.11 1.62
57 1.01 3,48 1.50 0.58 0.46 0.11 1,59
134 ( .0t N—r 10ICAN 629505
43 1.56 5,33 2,30 0.89 ‘1.10 3.17 2.41
57 1,99 6.75 2.94 1.14 0,76 3.21 3.09
135 0.03 #—TETRADECI’.N 629594
4) 1,8’> 6.19 2.61 1.03 0.80 3,19 2,80
57 2.53 8.33 3,51 1.39 1.08 3.26 3.77
136 0.03 r —PENrAD CA I 692629
57 1.94 6.52 2.68 1.03 0.99 3.22 2.92
11 1.21 4.06 1.61 0.64 0.62 3.14 1.82
137 0.01 N—HEXA0fr AN 544763
43 1.40 4,66 2.01 0.78 0,bl 3.15 2.31
51 2.01 6,10 2.88 1.12 0.87 3.21 3.03
138 0,01 N—FiEP1&0ECA 629797
57 2,18 7,32 3.01 1.16 1.11 3.24 3.27
73 1,44 4.85 3.99 0.77 0.13 ). lb 2.17
139 0.03 P —0CTMWCM4E 593453
57 2,33 8.13 3.48 1.35 1.33 3.24 3.65
13 1.55 5.35 2.30 0.89 0.58 0.06 2.41
hi
-------
1nternil/Izterr l Stan irl Vile (or tpd Cidsi I b
Cmpd• Recovery o%pound
St 1 s 2 StI 154 Std 156 Std $51 Std $50
MaSs 109 236 1.36 — 82 118 90 116 04 112
140 0.01 N. ’ 0N Dt . AK1 629925
71 2.12 1.61 0.ib 2.42 3.85 1.21 2.11 6.04 4.41
85 1,42 1,Od 3.25 1.61 2,5 ! 3,85 1.41 4,03 2.90
141 0.01 N.IICDSAPIE. 11 )2958
51 4,43 3,41 0.02 5.11 1.92 2.02 4.b 30 .2h 7,32
71 3.03 2.33 0.Sb 3.50 5,43 1,93 3.19 1,03 5,01
142 0.01 N.HtNE1Z0SA 629947
57 3,93 2.96 0.70 4.43 7.35 2.3? 3.86 11.05 8.10
71 2,11 2.05 0,40 3.01 4.08 1.61 2.67 7,eb b,bK
143 0,01 N—UOC35AP F 629910
51 3.73 2.98 3.10 1.46 7.10 2.33 3.88 11.13 8.26
71 2.60 2.00 0.49 3.11 4.96 1,63 2,10 7,76 5,7?
144 0.01 N.T8135A8E 638675
51 3.99 3,19 3,15 4,11 1.60 2,49 4.14 11.85 8.83
71 2.80 2,24 0.53 3.35 5.34 1.15 2.91 K.)) 6.20
145 0,01 KhENYL ,ACI TATE. 122792
94 -1,84 1,41 0.34 2.01 3.25 1,30 2.ld 4,10 3.31
l3b 0,25 0.23 0.05 0,28 0.45 3,18 0,30 ‘),57 0.42
14b 0.01 BE liL4 F.1ATE 140114
91 0,52 0.4’) 0.09 0,57 0.92 0.37 0,61 1,15 0,05
108 1,09 0.85 0.20 1,19 1.92 3,77 1.19 1.43 1.79
141 0,01 TM1LbZ .NtSU1, 0hA1 .
71 1.24 0,94 0.22 1.41 2.25 3.74 1.23 3.54 2.5%
lh 0. 4 0.34 0,08 0.50 0.80 3.26 0,44 1,26 0,93
148 0.01 TH LT0LUESUt.F0# TE(P)
91 1,60 1,21 0,29 1,01 2.89 0.95 1,58 4.53 AIlS
155 0.12 0.51 0.13 0.91 1.29 0.42 U.71 2.02 L. U
149 0.01 oI.TKyLpurhALAr 131113
77 0.81 0,63 0.l 3.94 1.45 3.52 0.85 1.88 1.34
163 5.29 4.01 0,90 b,10 9.46 i.3b 5.56 11.22 8,11
150 0.01 ET .yLr3l uE s’JLF3bArE.(P) 03100
91 1.74 1.32 0.31 1.97 3.14 1.03 1.12 4.92 3.65
155 1,18 0,94 3,22 1.4o 2.23 3,73 1.21 3.46 2.35
0,0% D1 THyLPHTHAI.4r 84662
1 3 3,19 2.43 0.51 3.65 5.19 1.90 3.11 9.08 6,11
171 0,80 0.61 0.14 0,93 %,41 0,48 0,80 2.29 %,69
152 0.01 o bu1y pHTHAL,ArE 04142
57 0.29 0 23 0.05 0.34 3.52 0.19 0.31 0.bk 0.48
149 7,11 5.52 1.33 8,2? 12.8) 4.55 7.54 16.55 11.00
112
-------
1nterni1/Pzter 1 Stiniar Ill, for ?d Class • 6
Cm d. eeovery olpoJf%d Na%e
51.1 I 9 S1.d 160 StcI 161 St4 b? Stct 161
øass 110 175 81 lIt.) 2b4 • 188 • 99
3 0 0.01 . 0h DLCANL b2 23
71 1.53 5.27 2.24 0.87 3.68 ). Ib 2.35
85 1.01 3.41 1,50 o ,58 0,45 3.31 3,57
141 0.0$ —I1C)S*’ f: 1314958
57 3,00 30,35 4,25 l.ei .51 3.35 4.b )
71 2.31 7.09 2.91 1. 2 1.01 3,23 3.37
142 3.01 Nt, 10SA,,I. b29941
Si 2.73 .S3 4.11 3.bO 3.07 3.30 4.11
71 1.89 6.63 2 .M5 1.30 0,14 3.21 2.99
14) 0.01 N •03C)5A l b29910
Si 2.K9 4.14 1.bO 1.24 0,30 4,35
71 2.02 6.11 2.89 3.12 0.85 3.21 3.04
144 0.01 N—1NlD5 P E bibbiS
51 3.10 10.? 4.42 1.11 :. 3.32
71 2.18 7.22 3.11 1.20 0.90 3.22
145 0.03 PNYt.ACI TAT l?fl92
94 3.11 4.41 1.72 u.b7 ‘).lO 3.13 1.98
1st. 0,38 0,b 3 ,JA Q .09 3.13 3.32 0.28
146 0.01 B1YL < TI 340314
91 0 ,18 1.25 0.4K O.1’ 3.24) ). 4
108 U.79 2.61 3,02 0.40 0.4$ J,01 1.11
147 0.01 ETHTLBLNZ :N SULFON .tE
17 0.91 1.04 1.31 Ct.5I 0.4u 3.39 1.38
77 0.1? 1,0 0,47 0.1$ 3.14 3.03 0.49
140 0.01 M THr0LU N 5jLThiATE(P)
91 1.17 1.68 0,65 3.51 3.12 1.76
155 0.52 1.74 0.75 0.49 0.li 3.05 0 ,79
149 0.01 uI.r -uLPHT 4A’ AFE 31113)
17 0,57 3.8) 0,75 0.29 0.18 0.06 0.85
16) 1.63 11.81 4.4 1$ 3. 8 1.415 3.41 5.5%
150 0.01 £THYLrJLUEP4CSULF0 AI€(P) 83400
93 1.28 4.25 1.83 0.71 3.55 3.13 1.92
155 0.91 3.01 1.30 0.50 0.38 3.09 1,36
151 0.03 u1 .r41yLpHTIl4LAr . 414bb?
149 2.35 1.82 3.34 1.30 1.02 3.54
111 0.59 1.97 3.85 0.33 3 .1t 0.89
152 0.01 OUiUTYLPH1HALATf 84142
51 0.20 0.68 C),28 0,1% 3.%C 3,0 2 0 ,33
149 4,99 16,75 6,dlt 2,64 2.52 3.5 7.41
-------
1M rfls1/L*t,, 1 t4r isr F11 or ip Cidsi I 6
Caudi •COVPfy oIpo r10 ‘$i e
Stil P 2 t1 •54 St •‘,6 Std P S? Std • 8
109 2)6 136 • 44 * 14 116 84 112
$ 53 0.01
91 1. J9 1.67 0.J 1.7w 3.69 1.40 4.44 4.64 3 , 11
L4I 1 )1 .b2 3.62 1,b 5 .9 2 4O 4 ,0$ 1 .49 5$
1 4 0.0$ D1FULNUVLP I1P$ALAfE lIle lP
$49 ‘i .44 4.31 3.9k 5.7$ 9.23 1.14 .26 $$.59 .51
$67 3,98 1,54 0,31 2.17 3,51 1.42 1.17 4.40 1.24
335 0.0$ btPC hV0t 1’ 3 2J
7) 0 .lb 0 .2 U .07 0.42 0,64 3.41 U.is 0,$44 0.80
103 0.43 3,31 0 ,v7 3.46 0,1) 3.25 0.42 0.92 0.66
136 0.01 I)LU )t.DLHit)E(P) 51 734
W I 0.5$ 044 J.IU 3 .i’: $.‘ 3.34 0.’ 7 1.65 1,11
119 0.63 0.31 0.32 3.17 1.21 .,41 U,oO 1.95 1.41
0.0$ *TO?. CP 0 t 98462
77 0.14 0,84 0,35 0.96 1.53 0.3) 0,311 1.93 1.11
103 1.72 0.94 0.23 3.41 1. 15 ).71 1.19 2.83 2.31
$54 0,01 S*3.ICILA I.Ofr.14$OE 93371*
21 0 ,’,b 0.44 3 .lu 3,61 i.7 3.40 0.6? 1.24 0.91
$24 (J,60 0.47 ) .11 0 .t .U 1.31 0,4) 0.72 1,34 0. #
159 0.01 ISAI.DEH IDE 12 )335
135 1.17 - I,Oi 0, S 1.51 1.47 0.91 3.66 1,11 2.29
136 0.96 0.76 0.34 1.07 3.13 0.10 1.1b l .$8 $.bL)
IbO 0.0$ P Ud.fl. ‘04952
94 1.07 3.84 u.20 1.11* I.#0 0.16 1.17 4,41 1,11
161 0,31 RLSOL.(P) 106443
107 1.21 0•93 0.21 3.40 2.25 3.80 1.29 7,93 2.38
108 3.07 0. t2 0.20 1.14 1.9. 3 .b9 1.14 2 .S $ .l*4
It’? 0.01 2.01 PTHVI.4f W3L 526750
101 0.81 0,61 0 , le 1.00 1.bl 3,51 0.95 7 ,t)8 1,*
122 0,91 0 ,1 ) 3.11 1.05 1.54 3.S 0.9 2.12 1.51
163 0.01 1P )PTLPP4 NL. 8 619
$21 1,79 %.3 0.32 2.04 3.23 1.07 1.78 5.R 3.17
lIt’ 0.07 0.36 0.12 0,73 1,19 3.39 3 ,65 1 .H1 3.38
364 0.01 Z)— I( JPH .3L 80155
63 0.0) 0.02 0.00 0,01 0.03 0.02 0.01 0.06 0 .)’
1)? 0,3 1 0,1 ’ , 0.32 0.14 3.2j 3.09 0.15 0.29 0.2$
1f 5 0001 4—LJPD— —1 Y’ r. JL 39537
107 0.93 0 ,lt 0.11 1.08 1.59 3.5” U. 2 2.84 2. 5
*42 1.04 fl.77 0.38 1.38 1. 4 3.bt 1.01 1, 139 2.14
114
-------
1nterr1 / 4t.rr%e1 Standu1 ‘I1e br pd C1455 I b
CIDI. ecovery o poj c1 Pd4 e
St 159 St * lao Std 16$ Std $63
130 125 2 110 264 • 99
154 0.01
91 1.51 5.01 1,95 0,?b o.7 0 ,14 2.24
149 3.44 8 ,3) 3.15 1,22 1.16 3.23 3.62
154 0.01 D1cTH*LHEX L 1 p 4rH L&1E 111141?
$49 4 ,0 ) 32.58 4,kth 1.189 1.90 3.35
$a7 1,51 4,78 1,85 0,12 0 ,72 3.13 2.13
155 0,01 H P4 AL3 .HY0I 10052?
77 0, S 0.84 0,35 0.13 0.13 3.03 0.38
$3 0.28 0.9! 3.314 0.15 3,14 3. 33 0.42
156 0.01 100 1H3v1(P) 52 2D4
91 0.42 1.41 0.6* 0.24 0.15 3.35 0,64
1*9 0.50 1,66 0,12 o,2s o.7i 0.05 0.75
157 0.01 C Tu?H N0r 9N 1 462
77 0,57 1.95 0.80 0.31 0,29 3 , Ob 0.87
105 0,85 2.88 1.1 0.45 0.4J 3.09 1,28
0,01 S L1 1ALDtI*Dt 90 )2R
121 0.4* 1.35 0.52 ).20 O, 1 3.04 0.bO
122 0,44 1.46 0.56 0.22 O.2J 0.04 0.65
359 0.03 Aw1SAo .HYo : 123115
135 1,01 3.Jb 1.31) 0.53 3.53 3,u9 1.50
136 0.11 2.36 0.91 0.35 0.37 3,37 1.05
*60 0.01 PHUoIJL 108952
94 0,15 2.63 1,01 0.39 3.41 ,oi 1.35
16* 0.01 LS0L (P) 10b445
107 0 , Q 2.85 1.17 0.4’ 3,44 3.10 1.31
308 0,18 2.52 1.03 0.40 0.39 3.09 1.16
162 0.0% 2,3—DIMUT$YLPHE? 3L 526150
*01 0.63 2.11 0.84 0.32 0,32 3,07 0.94
122 0.b4 2.11 3.B 0.,)) 3.32 3.07 0.95
163 0.01 ISUPP11Ptl )L
12* 1,28 4.39 1.90 0.73 0.58 3.14 3,99
13b 0,47 1.61 0,a9 0.27 0.21 3.05 0.73
164 0.01 —Pi1T 3PHENDL 88755
65 0.02 0.07 0.03 0.01 0.01 3,00 0,u3
139 0.09 0.3* 3.12 0.OS 3.05 3.31 0,14
165 0.01 59501
107 0.66 2.27 0.9 0 .Jd 3.30 3.07
142 0.72 2 .4 1.07 0.42 0.32 3 . 1.13
115
-------
Internal/External Stan 1ard File for pd Class 0 6
C pdl Recovery o npo nd Naae
Std I 2 St 154 Std 156 Stci iS? Std 158
Mass 109 236 136 — 62 128 98 116 64 312
166 0.01 4.HLJI tJ 1 SOL
101 0.83 0.64 0.16 0.97 1.51 0.53 0.86 2.03 1.45
142 0,94 0,72 0.17 1.09 1.77 3.60 0.99 2.29 1.63
261 0,01 1—NAPHIH OL 90153
115 0.35 0,26 0.06 0.38 0,61 3.20 0.34 0.96 0.72
144 0.61 0,45 0,31 0.57 3.07 0 ,35 0,29 1. H 1.25
lbS 0.02 P —T Hr —uuryLPdEw3t 98544
101 0.56 0.43 0,10 0.65 1.33 0,34 o.bb 1.60 1.16
135 1.96 1.49 3.35 2.22 3.51 1.17 1.94 5.56 4.31
169 0.01 2— dLTR3PESUL 119335
77 0.7b 0.23 0.05 0.30 0.46 3.07 0.27 0.60 0,43
153 0.74 0,57 0,14 0.83 1.33 3.46 0.18 1.12 1.23
170 0.01 2,4—DjLO%3P NDL, 123832
162 1.13 0.88 0,21 2.24 2,30 0.80 1.34 7.52 1.06
164 0.72 0.53 0.13 0.7w 1.27 3.51 0.85 1.60 1.38
371 0,01 2,4,b—tt41CF3L0R)Pr4 .NDL $8062
196 0.83 0,63 0.15 0.69 3.44 0.58 0.97 1 ,R1 1.34
198 0.81 0,64 0.15 0.91 1.45 3.59 0.98 1.90 1.36
172 3.01 0I—T 1 T—l4UTYL—4—MFTH F,PHEr .OL 126310
205 2.53 1.97 0,47 2,18 4.49 3.81 3.03 5.66 4.16
220 0.67 0.52 0.12 0,13 1,18 3.48 0,80 1.49 1.09
373 0 ,33 PTA: L.UPJP8E DIJ 87865
2b4 0,29 0.22 0,05 7.34 0.54 3,19 0.31 0.72 0,52
266 0.41 C.36 0,09 0.55 0.91 0.32 0.54 1,11 0.64
174 0.01 2.M .r.APHT P c 83329
142 2,03 3.58 0.38 2.23 3.bO 1.44 2. $2 4,53 3.34
142 2.51 3.96 0.46 2,76 4.4 1.79 2.99 5.62 4.13
115 0,03 A ENAp8rHEr . 83329
153 1,26 0.9’ 0.23 1.38 2.22 0.89 3.49 2.81 2.06
154 3.40 2.64 0.63 3.73 6.32 2.41 4,04 1.59 5 ,5*3
176 3.31 ‘1Ph FiL 92524
154 2.28 1.1$ 0.42 2.51 4.34 3.63 2.72 5,10 3.15
177 0.01 1,8—0ETHYL .4PH1RA [ .EP E 5b94 15
141 1.59 1.24 J.29 1.11 2.82 1.13 1.89 3.55 2.61
156 2.30 1.79 0.42 2.52 4.31 1.b3 2.73 5.13 3.17
118 0.01 FLUORe.PdE 86731
165 2.74 2,13 0.49 3.31 4.dS 1.95 3.21 6.12 4.50
166 3,07 2.38 0.57 3.44 5.55 2.23 3,14 6,99 5.14
116
-------
1r%terna1/Exter &t stendmci File (or ,pd Class I 6
Cmpds Recovery Compound Name
Std 059 StI $60 Std 061 SLd $62 SId $63
Mali 110 325 82 110 264 • 188 — 99 —
266 0.01 4—HL3R OP IS OL 1
107 0,58 1.96 0.80 0.31 3,31 0,07 0.91
142 0,66 2,23 0,85 0.34 0,3 0.08 1.03
167 0,01 j— AeHrHoL 90153
225 0,25 0.83 0.36 0.14 Q,fl 3.03 0.38
244 0.44 1.45 0.62 0.24 0.18 0.05
168 0.01 P—TERr ’FItJTYL2 HEP.3L 98544
101 0,40 1.38 0.66 0.23 0,18 3,)4
135 1,44 4.79 2.04 0.80 0.63 3.15 2.16
269 0,02 2—NITR3ZPISOL 129335
17 0,18 0,62 0,25 0.10 0.09 3.02 0.27
153 0.52 1.14 0,71 0.21 u.2b 0.06 0,19
110 0.01 2,4—UIHLOPQPHENOL 120832
162 0,80 2.73 1.05 0.41 0.43 0.08 2.22
164 0.51 3.73 3,67 0.26 3.27 3.05 0.17
171 0.01 2.4,b—1R1CHL0RDPH .U3L 88062
196 0.58 1.97 0.76 0.30 3.91 0.88
198 0.58 1.99 0.77 0.30 0.32 0.89
112 0.01 D1 —T RT— I3UTI1 4 —4—METH1LPI1EN0L, 128370
205 1,95 6.13 2.31 0.92 0.9o 0.17 2.73
220 0,49 1,61 0 .b2 0.24 0.25 3.05 0.72
173 0.01 PENTAHL0RQPHE 3L HlSbS
264 0,20 0.68 3.28 0.11 0.11 3.02 0.31
266 0.36 1.11 0,45 0.07 0.28 0.04 0.50
174 0,01 2—’ ETHYLb PH1HALEN . 83329
141 1.48 4.91 1.90 0.74 0.11 3.34 2,1
142 1.18 6.08 2.36 0.91 0.95 3.11 2.12
175 0.01 AEFJAP 1H 1 83329
153 0.92 3.04 1.18 0.46 0.41 0.09 1.35
154 2.49 8.22 3.19 1.23 1.28 0.23 3.66
0,01 B1P . YL. 92521
154 1.67 ,14 0.83 0.81 0.16 2.46
117 0,01 1 ,e—o1 THyLNAp rhAL 569415
141 1.26 3.94 1.49 0.58 0,60 3.11 1.72
156 l ,ô7 5.55 2.15 0.83 3.87 3.16 2.48
178 0.01 U01 . C 86737
165 2,00 6.62 2,51 0.99 1.04 3,39 2,95
166 2.28 7,51 2.93 1,14 1.19 0.21 3 .3b
117
-------
Interna1/E*terr s1 Standard FUe tor : pd Class I b
Cmpd l
Mass
179
155
170
180
178
181
202
182
191
206
183
228
184
252
185
41
54
186
41
59
181
41
51
188
63
93
189
99
155
190
66
263
191
91
120
192
77
123
Recovery
Std I 2
109 236
0.01
1,86 1.44
2.56 1.99
0,01
3.21 2.41
0.01
4.08 3,75
0.0I
1.33 1.03
2.85 2.22
9.01
2.21 1.73
0.01
1.60 1.23
0,01
0.66 0,51
0.29 0.23
0.01
0,48 0,3b
0.24 0.26
0.01
0.73 0,56
3.09 2.36
0.0%
1,11 1.31
0.84 0.65
0.01
4,03 3.13
0,88 0.68
0.01
1.33 1,03
0.60 0.46
o sal
0,60 (1.52
0,91 0.75
0.01
0.86 0 ,67
0,54 0.42
1
C0sPOUr J name
Sti •54 Std 156
136 — 82 128
2, 3.s.TN1MFTHrL APHTH [
0,34 2.08 3.36 1.36
3.47 2.86 4.62 1 ,86
120127
0.60 3.71 5.71
PYkINF 129000
0.93 5.66 8.73
9, 10—D1Mr THYLA ’ tHR E E
0.25 1.45 2.35
0.53 3.13 5.94
CHRYb MF. 21 1 1019
0.41 2.42 3.92
P1RYLtJ 1. 19 553
0 .30 1.64 2.65
0LYA 4 )BUTAH 111693
0,12 0.12 1.17
0,05 0.32 0,52
8UTYL AAMATE 14994175
0.08 0.54 0.86
0,05 0.29 0.47
DIBUTYLDLSU [ J’ IDE 113065
0.13 0,84 .34
0,56 3.54 5.64
B1S(2—KLOROUHYL)F rI4A ’ E
0.31 1.97 3.13
0,15 0.9? 1.54
T I l uryL phosp ,ArL 126738
0.75 4.65 7.23
9.16 1.91 1.57
1 LD l 1N 309302
9.24 1.49 2.40
0.11 0.61 1.08
HY0R3UE$Z0I0 AN 4951
0.13 0.79 1.25
3.18 1.12 1.61
98953
0.16 0.94 1.51
0.10 0.59 0,95
Std $57
911 116
2245387
2.04
3.27
81431
0.94
2.01
1.59
1,02
0.47
2.10
9,26
3,15
0,44
1.85
112265
1.03
3.51
2.56
9.56
3 • 97
3.44
62
0.43
3.66
0.61
0.3 1 1
2.27
3.11
3,38
5.18
1.57
3.37
2 (ib
I .58
0.79
0,35
0.47
0,25
0.73
3.09
1.71
0.84
4.24
9.92
I .52
0.73
0.72
(‘.79
1 .02
0,64
std IS O
84 112
4.24
5.83
7.43
11 • 54
2,96
6.36
4.91
3.61
1.47
0.66
1 • 35
0,72
2.10
8,84
4.91
2,42
9.28
2.02
3.03
3.36
1.5’
2.11’
1.9%
1.20
3.12
4,29
5,30
8,23
2.18
4.68
3.b l
2.62
1.09
0.49
1.00
0.54
1.55
6.54
3 • 63
1.78
S • 62
1.44
2.23
1 .00
1.13
1 .54
1.40
o • 86
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Intern ’/Ezte n, Stanc1 rd F1 e tor n d C1 isi • 6
CmDd$ Re ov ry Co pouid home
Sti $59 St $60 Sto $61 Std 162 Sta $63
110 125 82 110 2b4 • $88 •
179 0 • 01 2 • 3,5— T I M l. r y ( P H T H A LEN i: 22453 Hi
155 1.38 4.59 1 ,78 0,69 0,12 0.13 2.05
170 1,90 6,31 2.44 0.95 7.99 3. 18 2.81
180 0.01 120127
*78 2,24 7,59 3.08 1.19 1.13 3.25 3.35
181 0.01 PYHLN€ 129000
202 3.5? 11.41 4.95 1.90 1,80 3,40 5,36
182 0.01 9 ,10 —DITHYLA TA . ’ , 791431
191 0.96 3.19 1,24 0.48 3,50 0.09 3.42
206 2.06 6,86 7,67 l.uJ 1.08 3.19 3.06
193 0,01 216019
228 1,61 5,34 2,07 0.80 3.81 0.15 2.39
194 0.01 PER J . 19d553
257 1.11 3.12 1.53 0.59 0.47 0.12 1,65
185 0.01 DIYANDBIJTA , . 111b93
41 0,48 1,59 0,62 0.21 C),73 0.05 li.7 1
54 0.22 0.71 O.2 0.11 3.11 3.02 0.3
1 6 0,01 8uTrI.:A JI3AM4rE 14994115
41 0.3S 1,1s 0.50 0.09 3,15 3.04 0.52
59 0,39 0 ,bJ 0.27 0.11 0,08 7.02 0.28
187 0.01 DIBIJTflID1SULFI 113065
41 0,54 1.78 0,18 0.31 0.2(1 3.0 0.82
51 2.21 7.62 3.29 1.21 1.30 3.24 3.42
198 0.01 IS(2—H) D THy(,)prh4 112265
63 1.27 4,23 1.83 0.71 3 ,So 0.13 1.91
93 0.61 2,0 0.90 0.35 0.21 0, 6 0,94
169 0.03 T IbuuLpHospHArE l2613
99 2.91 9.43 3.87 1.49 1.41 i,33 4,19
155 0.61 2.05 3.84 0 ,3. 0,31 3,07 0.91
190 0.01 AL,DPI , 309002
66 0.99 1 ,2a 1.27 0.49 3.51 7.09 1 ,4b
263 0.44 1.47 . ,S1 &.2t 0.23 0.04
191 0.01 01 IYDR)REP ZU A . 4 ?61 2
91 0.2? 1.59 0,bS o . 5 0.24 3.05 0,71
120 0.58 2.27 0. O 0e35 3,33 ) .u7 0,98
192 0,03 N1rpJt3ENzL E 9 4953
11 0.61 2.07 0.80 0.33 3.33 3. Ob 0,94
123 0.38 1.30 0,50 0.20 0.21 0,04 0 ,59
119
-------
Interr 1/E terniL Standard File tor ‘pd Class 1 6
C.pd$ Re very Co pound ‘lime
Std 1 2 St 054 Stc 156 Std s .7 Std 058
‘lass 109 236 lib — 82 228 98 116 64 122
193 0.01 aENzor8 lAzcIL .k. 95169
135 1.56 2.21 0.29 1.71 2.76 1.11 1.86 3.47 2.55
194 0.01 PHEAk!4AMAf 232390
94 1.25 0.9b 0.23 1.44 2.23 3.19 1.31 2.88 2.06
137 0.02 0,01 3.00 0,02 0.3) 3.01 0,02 0,04 0.03
195 0.01 2,4.D1811k0T0LU f. 121142
J9 0,35 0,2 0.06 3,40 0.65 3.26 0.44 0.21 0.60
165 0.71 0.53 (1,13 0.15 1.11 3 .4b 0,lb 1.53 1.13
19b 0.01 ZVL ULi1Dk 5 )8749
91 3.55 2.68 0,63 4.00 b ,3 2.10 3.49 9.99 7.42
12) 0.90 OebO 0,lb 1.02 1.62 3,53 0.89 ?.S4 1,88
191 0,01 D1PHE d1LSULFU l 127639
125 3.82 3,44 0.81 5,16 8.21 2.71 4.51 12.95 8,65
418 0.9? 0,13 0.17 1.10 1.75 3.58 0,96 2,74 2,03
198 0.01 TR1cH wyLPIioSP 4ArE 1l5 t,b
325 2.59 2.01 0.13 0.79 1.2d 3.52 0.81 1.61 1.18
32b 0.09 0.07 0.17 1.03 1.67 3.68 1.14 2.09 1.54
199 0.01 uLpuF:L t u i 587859
71 0,72 0.56 0.48 2.85 4.59 1.9b 3.28 6.r8 4.47
356 0.95 0.14 0.02 0.09 0.15 3.06 0.11 0.20 0,15
200 0.01 TCTR4 IfLNI’L11M
197 1,40 2.11 0,21 1.70 2.11 3.89 1.47 4.71 3.13
351 2.30 1.05 3.25 1.58 2.5) 3.82 1.37 3.91 2.91
201 0,01 Yt 8LOR10 100447
91 2.55 2.18 3,28 1.77 2,82 0,93 1.54 4.42 3.46
126 0.41 0,12 0.08 0.48 0.76 3.25 0,44 1.20 0.d9
202 0.01 4—IU.0UBLNZ3 ,11R1L . 623030
102 0.55 0.47 0,20 0,6) 0 . 9 0.33 0.55 1,57 1,16
137 2.10 1. 7 3.36 2.38 3.79 1.25 2.06 5.95 4.40
203 0.01 3.H2,Qh NZ Hyf) 581342
111 0.06 0.05 0.01 0 , # 0.22 0.04 0.07 0.20 0.14
139 0.22 0.13 0.02 0.15 0.24 3,08 0,j3 0.38 0.16
204 0.01 O. HL.3F 0A .LS L€ 186518
121 0,f 0 0,46 0.21 0 . 9 1.39 0.36 0.60 1.71 1.21
142 1.32 1.0’ 3.24 0,50 2.40 3.19 2.31 3.7 2.78
205 0.01 O8JBEN7A’ IC.E 819587
139 0.70 0.55 0.13 3.17 1.25 3,50 0.84 1,57 1.lb
155 0.38 0,33 0.01 3.42 0.bB 3.21 0.46 0.85 0.63
120
-------
lnternsl/lzternal Staniard File tor t pc* Class s 6
Cmpdl R co ery Compound awe
Std 159 Sti 160 Std 161 Std •62 Std 163
Ma Ss 110 125 82 110 264 • 368 • 99 —
193 0,01 8EN2Q1h1AZ0L 9 .l69
335 1, 14 3.76 1,46 0,51 0,59 0,11 3.66
194 0.01 PHENYL .ARBAMA1 102090
94 0.81 2.92 1.20 0.46 3,44 3.10 1,30
137 0,01 0.04 0,01 0.01 3.00 3.00 0.02
195 0.01 2.4—0p lTHoT3Lu€p ,i . 121142
69 0,27 0,88 0,34 0.13 0.14 0.03 0.39
165 0.50 1.66 0,64 0.25 0.26 0.05 0.74
196 0.01 BE dZY [ .SULilDE 538749
91 2.47 8.62 3.72 1.44 1.11 3.27 3,90
123 0.63 2.19 0.94 0.37 3. 18 3,37 0.99
197 0,01 D1PHL 1YL.SULF0NE 127639
125 3.00 11.09 4.77 1.85 l ,12 3,35 5.05
218 0,67 2.36 1.02 0.29 3.30 0.07 1.07
198 0,01 TR1PH N1LPH35P 4 D. 115866
325 1.98 6.58 1.55 0.95 1.03 0.18 0.78
326 0.06 0.22 0,08 0,03 3.03 3.01 1.02
199 0.01 01PHE’ YLME.PCURy 587859
77 0.53 1,75 0.68 0.26 3.26 0.05 2.94
356 0.69 2.28 0.88 0.34 0.35 0.06 u,10
200 0.01 TETRAPHENYLTIN
197 1.10 3.66 1.51 0.61 0.44 3,11 1.56
351 1.03 3.43 1,46 0.57 C.41 3.11 1.54
201 0,01 bF.NZYL HL0R1DE 100441
91 1,10 3,81 1,64 0.b4 o, o 3,12 1.71
126 0.30 1.03 0.45 0.17 0.!2 3,03 0,47
202 0,01 4—HLJROBZU IrpiLE 623030
102 0,39 1.35 0.5H 0.23 0.18 0,04 0,61
137 1.49 5.12 2.21 0.85 3 , .1 3.1 2.32
203 0.03 3—C H L 3 PORE r Z A 1.0 EM Y V 587042
111 0.05 0.17 0.01 0.03 0.02 3.00 0,06
339 0.10 0.32 0.14 0,05 0.04 0,01 3 , 35
204 0:01 OCHLJR OANJsDLE 166518
127 0,43 1.48 0,b4 0.25 0.17 3.05 0,67
142 0,98 3,24 1.40 0,54 3.36 0,10 1.46
205 0.01 HLOk38EN2AMjDE b19567
139 0.51 1.70 0.bb 0.26 3.27 0,05 0,76
155 0,28 0,92 0 .3b “.14 0.15 3.03 0,41
121
-------
1nterna1/lxter 1 SLan 1&rd 11e for pd C1a51 I 6
C pc1I Rec overy oi pound N4 e
Std I 2 St 1 • 54 Std 156 SId 151 Stu iS8
MaSS 109 23b 136 — 82 128 98 lib 84 112
206 0.01 3,4.D1HLO At,L? .H13€ 6287383
31) 0,48 0.39 0.09 0.58 C ,93 0,31 0.57 1,46 1.07
174 0,32 0.26 0.Ob 0.39 0.b2 3.71 0,34 0,98 0,12
207 0.01 1,2.4.iP1CHLUK)BENZE - UOBfl
145 0.34 0.26 0.Ob 3.40 0,b3 3.22 0.3b 0,81 ) 0,57
180 1,30 1.00 0,24 1.50 2.43 3,83 1.37 3.03 ‘.16
208 0.01 2-KRU—I —CHL3P38E?,l .€ 694894
190 0,78 0,61 0.14 0,85 1.38 3.55 0,92 1,74 1,28
192 1.01 0.81 0.19 1.14 1.84 .14 1.14 1.33 1.71
209 0,01 1,2 —D1HLOR0N PHTI ALLP C 2050b93
161 0.44 0.34 0.08 9,50 0,78 3.28 0,46 1,01 0,12
196 2,17 1.61 0.40 2.51 3.88 1.38 2.29 5,03 3.5 14
210 0.01 1.2,4,5—TI..TPAHRJBINZENE 95943
214 1,18 0,93 0,22 1.29 I,3 3,84 1.40 2.63 1.94
216 t.54 1.18 3,28 1,69 1.72 1,09 1.83 3,43 2.52
21 1 0.01 P—DIRN3 08ENZLlL lOhJlb
234 0,bd 0.52 0.12 3.11 1.23 3.41 0,67 1.93 1.43
236 1,29 1.0) C,21 1.4 2.36 3,78 1.30 3.77 1.93
212 0.01 4—uMJ01PHL rLETHE
248 1.08 0.81 0.20 1.1 I 1.92 3,17 1.29 2.4? 1.78
250 1.13 0.88 0.21 1,2b 2.J4 9.81 1.31 2,51 1,89
213 0.01 ,iEXACHL0Rol 1 118141
284 0,74 0.56 0.13 3,84 )•34 3,44 0,13 2.10 1.55
286 0.60 0.46 0.11 0.68 .,38 0,36 0,59 1.70 1.26
122
-------
1ntern 1/ *ter, ji SLand rd Ille (or i d Clasb o 6
CmDdI Recyover ey po 1 jr Name
Std 159 St iou Std $51 Std $62 Std i6
110 125 82 110 264 — 188 • 99
206 0.01 b 87383
Iii 0.37 1,25 0.54 0,21 0.17 0,04 0.57
174 0,25 0.84 0.36 0 ,li 3 11 3 ,03 0.39
207 0,01 1.2.4—TH1CIiL 0P3bENZ -, 120821
145 0,24 0,80 O•33 0.13 0.12 3.03 0,36
180 0.89 3.05 1.25 0,48 0.4o 3.10 1.30
208 0.01 2—BR’J.1—CHL3R ’ Z€ 694304
190 0.57 I.8 0,71 0.28 0.30 3.05 0.84
192 0.76 2.52 0.98 0.38 0,40 3,07 1.12
209 0,01 1,2—01 IIL090NAp9IHAL ’NE 2053b93
ibi (? i1 1,02 0.42 0,16 3,15 0.03 0 .4b
190 1.5’ 5.08 2.08 0,80 C,76 3.17 2.21
210 0,01 l, 2 . 4 I5—TF2TPAL k0dENZEP , , 95943
214 0.86 2.85 3.11 0.43 0.45 0.09 1.27
216 1.12 3.72 1.44 O ,’ b 0.5 3.11 1.66
211 0.01 P—DJbR3M0RLNZ .ft. 106376
234 0,49 1.66 0.72 0.29 0.19 3.05 0.75
236 0.93 3.18 1.38 l•5j 0.4S 0.10 1.4
212 0,01 4.BR0 JDIpI l .Ny( .1HFk
248 0.79 2,61 1,01 0,39 0.41 .01 1, 1 7
250 0.84 2.78 1.09 0.42 3,44 0.09 1.24
213 0.01 HEXA KLUHOB€NZ .NE 118741
294 0,53 1,83 0.78 0,30 3.24 0.06 0,82
286 0.13 1.46 0.63 0.24 0.19 3,05 0.66
123
-------
Table B-?. RflRs MD RECOVERIES FOR WARN CO!WOUNDS
(FU, pH 8.0)
C1a s No. 7
Stai ’ard ID No.
Standard Name
2
4-Fluoro-2-aodotoluene (external)
54
d 8 -Naphthalene (internal)
56
d 5 -Nitrobenzenc (internal)
57
d 10 —o-Xylene (internal)
58
d -}’henyIettianol (internal)
59
d 5 -Acetophenone (internal)
60
d 5 -Propiophcnone (intero.1)
61
d 12 -Perylene (internal)
62
d 9 -Acridine (tnt rnal)
63
d 5 -Phenol (internal)
124
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St’l • 2 St 154 St ‘Sb 5t1 157 Std ISI
$09 236 336 — 82 I2 9b 116 b4 *1?
100 0.01 P k1o1 110861
52 0,29 0,22 OJOS 0,3) 0.sl 3 .1y U.32 0.67 0.48
79 0,44 0.34 0,08 0.si 0.78 3,30 0.50 1.10 0.78
101 0.01 AL?H4—p1 0L1 109368
66 0.26 5,23 0.(J 0.30 0.4b 3.16 0.27 0,59 0..?
93 0. 6 0.5$ O.1 0.76 l.ld 3.40 0.66 1. 1.09
102 0.01 4N1t,1. I 62533
66 0.23 0.1 0.o , 0.28 0,41 3,15 0,24 0,53 ).38
93 0.76 0.54 0.13 0.81 1.25 3.45 0.14 1.b2 1.15
103 0,01 L UT101 108485
106 0,13 0.10 0.02 3.J 0.25 3.06 0.13 0.39 0.28
$07 0.22 0,36 0.04 0.24 ,)9 3,13 .‘.2l 0,tl 0,45
104 0,01 TOLIJ131N . 106490
106 0.89 0.69 0.16 0.97 .1.57 0.b4 1.07 1.97 1.45
107 0 ,73 0.56 D.IJ 3.78 1.21 3.51 0.86 1.58 1.16
105 0.01 1’ 0OL€ 120729
90 0,72 0,54 0.1.3 3.62 1.30 3.43 0.71 2,04 1.51
117 1.92 1,45 v.34 1.11 3,45 3,14 3,89 5,43 4.02
lOb 0.01 2,),6.TR1M 1Hyyl4I 3S 1462846
120 0.66 0.51 0.3? 0.?b 1.l .42 0.69 1.53 3.09
$21 U . 1) 0.69 3..1 1.53 1.61 3.55 (‘.91 2.08 1.49
107 0.31 2,6—0IIyLA ’ 1( lI . 1333135
106 0.36 0.27 0.06 0.41 0.65 2.11 0,36 1.02 0.75
121 0.57 0.44 0,10 0,bu 1,34 3,34 0.51 1.64 1,21
109 0,01 M— HL3R0A jL ,E 1 ?8429
127 3,09 0,84 0.20 1.ib 1 . 4 3.69 1.15 2.5? 1.79
129 0.34 0.26 3,06 0. 9 0.63 3,22 u.3 0.18 C..5b
309 0.01 J12L1N 9 112
329 1.92 1,41 0.34 1.9. 3.22 1.30 2.17 4.06 2,9
110 0,03 P—’.1T 3AuILI 100015
65 0.44 0.35 0.08 5.52 0.83 2.21 0.46 1,30 O, 1
138 0.56 0.4c 0,11 0.67 1.37 3.35 0.58 1.b8 0,22
i3 0.01 ?,4D1 ETHyLQU1N3L1NE 1198374
156 ( .4I 0.32 0.08 0.47 0,75 0,26 0,43 0.95 0.68
151 2.01 1.54 0.31 2.31 3,59 1.27 2.11 4,64 3.31
112 0.01 1 ,8—0jAM1NQNAp t, AL -
114 0,03 0.02 0,00 0.,J4 0.36 0.02 0.03 0.09 0.Ob
141 0.05 0,04 0,01 3.06 0.31 3.03 0,0 . 0.14 0.11
127
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131 0.01 ALPsA.P1 OL1k
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93 0,46 .54 0.61 0.24 J.2 1 3. OS 0.69
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107 0,$6 0.52 0,73 0.09 0,06 0,02 0,24
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137 0.52 1,11 3.67 0.Ib 3. Ib 3.05 0,11
105 0.01 I 00L .L *20729
93 0,5* 1.75 0.1t 0.29 3,OS 0.79
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106 0,0* 2,3.b.1h1TLPI0l *462846
120 0.48 3.54 0 .bI 0.24 0.23 3.05 0.67
121 0.62 2.13 0 .8b 0.13 3.31 0.07 0.94
107 0,01 2 ,6—U1 *THYLA’411.1P4P. 1307738
lOb 0,26 0,28 0.38 0,15 0.11 0.0) 0,40
141 0.41 1.41 3.61 0.24 0.1$ 3.04
*08 0.01 • KLDl 3ANIL16 . *38419
121 0.76 2.55 1.05 0.40 0.38 0.98 1.14
149 0.24 .79 0.33 0.13 3.31 3.0) 0.35
109 0.01 QU1MUI 1NL 91225
129 1,33 4 43 1.10 0.66 3. 9 3.12 1,96
110 0,01 • 1TR)AP1TL1 3000*6
65 0.34 1.33 0.49 0.19 3.14 0.51
138 0.4) 1.84 0.61 0.24 0.19 0.65
111 0.01 1198374
156 0.29 0.96 0,40 0.15 .15 3.03 0.43
157 1.46 4.6 1.93 0.74 3.71 3 ,15 2.09
112 0.01 1,8—D1AWI8O AP41HA1 ’l
114 0.02 G.09 0.03 0.01 0.0* 3.00 0.03
*4* 0.04 0.12 0.05 0.02 0.01 0.00 0.55
128
-------
Interns1/1xtetri 1 Stanlird 11e tor . pJ Class I 7
Cap I Ri:overy o.pound Paie
Std I 2 5t •54 Std 156 rd •57 Std 55$
109 236 lib — 92 12$ 98 116 84 112
113 0.01 *d10T1N 1 54115
84 1.11 0.90 0,22 1.3 1. 9 3.74 1.?) 2.70 1.92
133 0 . O 0,21 0,05 0.31 0 s9 3.17 0.29 0,b3 0.45
114 0.01 ARBAi JLE bb l4b
167 3,73 2. 8 0,69 4.10 6.66 2.31 3,92 9,36 6,61
115 0.01 93445
168 6.19 5.13 1.20 1.bS 1l.1 4.b I 6.bl I’ .11 14.11
lt,9 12,72 9.4) 2.22 14.1k 12.54 7.42 11.30 35.40 26.19
116 0.01 01P lL LA 1N . 112394
168 1.4$ 1.14 0.47 1.11 2.bS 3.94 1.56 3.43 2.45
169 4.79 2.15 0.52 3.21 4. 9 L/? 2.93 6.45 4.bO
117 0.01 D1YCL3HYL A I ’ I 301837
56 0.33 0.37 0.06 0.39 U.bl 3.21 0.35 1.10 0.18
238 0.96 0.76 0,18 1.32 1.83 0.61 1.02 3,15 2.25
118 0.01 TM18U1YLAMI½ 132829
$00 0.42 0.33 0.0$ 0,49 0,75 3.27 0.44 0,97 0.69
142 1.53 1.1$ 3.28 1.11 2,12 3.97 1.61 3.52 2.51
139 3.01 rF .1NL
109 0.30 0.08 0,02 0.12 0,11 3.06 0.10 0.23 0.16
194 0.19 0.15 0,04 0.22 0.34 3.12 0.20 0.44 0.32
123 3.01 D1aEr l L*MlNE 103491
91 1.62 1.26 0.30 1.18 2.87 1.16 1.94 3,63 2.67
197 0.1] 0.11 0,03 0.15 0.24 3.10 0.16 0.30 0.22
121 0.01 N,ti.D1IETHYLDDD 1LAVI E 1121 s
58 4.72 3.88 0.81 5.41 8. 3 i.Sb 5.99 11.09 8,16
59 0.11 0,33 0,03 0,20 0,30 3,13 0.23 0,40 0,29
122 0.01 ? ,T ’A11ME 1 *224Y
200 2.75 2.23 0.52 3.ld 5.23 1.12 2.I b 8.37 6.09
215 1.61 1.3 0.31 2.3 3.13 1.05 1.74 4.97 3,11
123 0.01 IPTA’4Y .(2) 110430
43 1.21 0.94 0,22 1.3J 2,14 3,85 1.14 2.32 2.00
59 0.15 0. 0.14 0 ,83 1.33 3.53 0,88 1.b9 1.25
124 0.01 8orux E rHANDL 111762
41 0,23 0.17 0.04 0,25 0,43 3.13 0,22 0.49 0.35
57 0,55 0.42 0,10 3.63 1.33 3.35 0.58 1.27 0.91
175 0.01 2—3Cr uNF. 111331
43 1.30 1.03 3,24 ,43 2.31 .3,91 1. 3 2.92 2.15
58 1,02 0.79 0.19 1.11 1,30 3,11 1.19 2.27 1.67
129
-------
lflternel/E,cter,a l Stan rc Ule to; rpd Cla*s • 7
Capds kecovery o1 pound Piam
Sti 1 159 St ‘60 Std ‘61 Std 162 Stct 163
$10 $2f, 82 110 264 — 188 — 99 •
11) 0.01 P.10T1#I. 54115
84 0.82 2.14 1,12 0.4) 0.41 0.09 1.22
13) 0.19 5,64 3,2o 0,10 3,10 3.02 0.29
1)4 0.01 ARhAl)L 86748
167 2,60 8,77 3,57 1.31 :.28 4.22
$15 0.0$ 2.AMI 3B1pH1ky1. 90445
168 4.75 16.46 1.10 2,75 2.13 7.45
169 8.82 30.4* 13.11 5.08 3.9t
116 0.01 0JPKL’lyLAMj . ; 12239
168 1.03 3.41 1,42 0.55 0.52 3.11 1.55
169 1.94 6.46 2.68 1.03 0.98 3.22 2,91
11, 0.0$ 01 3HExyLAM1 i 101837
56 0.25 0.81 0.33 0.14 0,09 3.03 0•3
1)8 0.71 2.34 0.95 0.40 0.26 0.08 1.09
$18 0.OL rRI 3ULAM$p 102829
100 0.29 0.99 0.41 0.16 0.15 0.03 0.44
142 C.99 3.34 1.47 0.57 0.53 3.12 1.59
119 0.01 AFFt1 . 58082
109 0.07 0,23 0,09 0.04 3,04 3.01 0.10
194 0.13 0.45 0 .1 3 0.01 0.01 0,02 0.11
120 0.01 01BtNLyLAMjr4 . 103491
91 1.18 3.91 $.t 2 0.59 0.62 3.11 1.74
197 0.10 0.32 3.13 0.05 0.05 3.01 J.14
121 0.01 112185
58 3,62 $2.02 4.bo 1, 1 1.87 3,34 , 5.31
59 0.13 0.43 0,17 0.Ob 0.07 3,0) 0.19
122 0.01 ATRA LNE U12149
200 2.13 7.07 3.05 L.1 0.90 3.22 3.26
215 1.21 4.33 1,85 0.12 3.S5 3.13 1.95
123 0.01 HEPTA’ 3NEU) 11043u
43 0,88 2.91 1.13 0.44 0.47 3,08 1.30
58 0.55 1.82 0.11 0.21 0.29 0.05 0.81
124 0.01 BtJT0XyETFfA 43$ $1176?
41 0.15 0.19 0.20 o.o 0.07 0.02 0.22
51 0,39 1.28 0.52 0,20 0.19 3.04 0.51
125 0.01 2—CZTAj0 . 111137
43 0,95 3.14 1.22 0.47 0.51 3.09 1.40
58 0,14 2.45 0,95 0.37 0.39 0.01 1.09
130
-------
!ntern l/lxternl1 St nd rd File tor
: pd C1a51 I 7
Std $57 Std •58
98 116 84 112
Cmpdl
M $$
Recovery
Std S 2
109 236
o poufld
Sti 154 StU 156
136 82 $28
126
57
75
0,01
1.48 1.14
0.44 0.R
uuTn pRopIo Art 590012
0.27 1,71 2.11
0.08 0.51 3.82
127
82
138
0.01
1.77 1 .36
0.39 0.i3
1S0PU3 OP 1 78591
0.33 4.L’4 3.11
0.0? 0,45 0.12
128
69
81
0.01
0.66 0.51
1.4 1.32
IH3 dt. $195159
0.12 0.72 1.17
0.27 1.58 2.S
$29
59
136
0.01
0.56 0.43
0 ,32 0.25
At .pHA.rE#I’INt.tJ1 98555
0.10 3.bS 1.33
0.06 0.31 0.58
130
41
43
0.0$
0,40 0,31
0.44 0.34
N..#’ 0L 112301
0.07 0.46 0.1%
0.08 0,51 0.39
131
59
114
0,01
0.56 0.45
0.44 0.35
01M1 T 1 L&DIPAr 621933
0.10 0.64 L.3
0.08 0.49 0.79
132
43
57
0.01
1.41 1.11
1.42 1.09
N.0€CA 4E 124185
3.26 1.67 2.66
3,25 1.b4 2.6$
$33
43
57
0.31
2.18 1.64
2.75 2.09
k.TP10€CASE 629505
0.34 2.48 3.95
0,50 3.14 5.31
134
43
57
0.01
2.52 1.92
3.40 2.55
—T .TRA0 A 629
0.45 2,88 4.58
0.61 3.d7 6.16
135
57
71
0,01
2.78 2.14
1.73 1.33
8—PEP TADECANE 692629
0.52 3.22 4,99
0,32 .U1 3.11
136
43
51
0.01
1.90 1.45
2.72 2.08
N—HF.X40E A ’P. 544163
0.34 2.16 3.45
0.49 3.11 4.96
131
57
71
0.01
3.13 2.41
2,07 1.60
N—IIEPTADLCAht b 9781
0. 8 3.61 5,55
0.38 2.39 3.70
0.9 1.1
3.27
1.13
3.25
3.47
1,02
0.ib
3.21
0.25
3.28
3.41
3.32
1.30
1.66
594
1.5 1
2.33
I • 71
1.10
1.13
1 .b3
1.99
1.32
‘.49
0,45
1.86
.1.41
0.78
1.71
0.59
0,34
0.42
0.46
0.69
0.54
1,46
1.41
2.16
2.17
2.51
3.37
2.94
1.83
1.89
2.71
3.30
2.16
3.14
2 • 3d
4.27
1 .28
4.11
0,90
1 • 47
3.22
I • 31
0.75
0.92
1.02
1.29
1 .00
4.18
4.05
6,20
1.93
7.19
9.67
6.47
4.03
5.41
7 • 78
1,25
4,80
6.96
5.95
3,15
0.95
2.93
0.64
1.08
2,36
0.93
0.53
0.66
0.73
0. 5
0.34
3.09
3.00
4.58
5.86
5.31
7,15
4.b2
2.81
3.99
5.74
5.17
3.42
5.63
4.41
138 0.01
57 2,99 2.51
71 1,98 1.bb
M. JCT#0ECAN
(1.59
3.39
593453
3.75 5.98
2.46 3.95
1.89
1.25
131
-------
Interni1/ xterne1 Stonderd rile tor tpd C1d s • 1
Cmp , Recovery Coi ound hire
Std $59 Sti 160 Std $61 Std Sf2 Std $63
110 125 82 110 264 • 1814 • 99
126 0.01 3UTYLPP0P1O’4AT€ 590012
57 1,11 3.b9 1.59 0.6% 0.414 3.1 1 1.66
75 0,33 1.11 0,414 0,19 0.15 0.04 0.50
127 0,01 IS3PH3RONI. 714591
82 1.23 4.14 1.10 0,65 3.b2 0.14 1.140
1314 0,27 0.91 0.37 0.14 0.14 3.03 0.41
128 0.01 F NCNJN’ 1195759
69 0,48 1.58 0.62 0.74 3.75 0.71
81 1,05 3.45 1.35 0.52 0.55 1.55
129 0.0% M,PHA—T1KP1Nk3t
59 0,39 1.31 0,54 0 ,21 oslo 0.04 0,58
135 0.23 0.76 0.31 0,12 0.11 3.03 0,34
130 0.01 N.DEANOL 112301
41 0.214 0.93 0.314 0.15 0.14 3.03 0.41
43 0.31 1.b3 0.42 0,lb 0.15 3.03 0,46
131 0.91 D1TH1LAO1PAL b279
59 0,42 1,40 0,54 0.2% 0.22 3,04 0,b2
114 0.33 l,0 0,42 0.16 0.11 3.03 0.48
132 0.01 ‘J—3I CANE 124185
43 1,05 3,5 1.55 0.60 3.41 3.11 1.b2
51 1.01 3,48 1.50 0,58 D.4b 3.11 1.514
133 0.01 N—T 410 C N . 629505
43 1.56 5.33 2,30 0.149 0,10 3.11 2.41
5? 1.99 6.15 2.94 1.14 3.16 3.21 3.09
134 0.01 N.TCTPA OECAUE 629594
43 1,R6 6.19 2.6? 1,03 0.140 3.19 2.80
57 2,50 8,33 3.51 1.39 1.08 3.2h 3.77
135 0.01 .PE rADECANE b9262
57 1.94 6.52 2.68 1.03 0.99 3.22 2.92
71 1.21 4,06 1.bl 0.64 3.6 3.14 1.82
136 0.01 h—IXA0ECA . 544763
43 1.40 4.66 2.01 0,76 3,61 2,11
57 2.01 6.13 2.1414 1,12 fl. 7 3,03
137 0.01 N—HEPF DECAi F 629787
57 2.18 7.32 3.01 1.16 1.11 3.24 3.27
11 1.44 4.85 1,99 0,11 3.13 3.16 2.17
138 0.01 N—3Cr DEC E 593453
57 2.fl 9,10 3,4H 1.35 1.01 3.24 3.65
71 1,55 5,35 2.30 0.89 0.58 3.06 2.41
132
-------
1ntern.3/Extern L S1*r cIir Flic br m i C1 ss 0 7
C dl Recovery Coipour i N t
St 1 I 2 ti i54 St 156 Std .51 Std $58
MI1$ 1)9 2)b 136 • 82 U8 98 116 84 112
1)9 0.01 P .ADL A 629925
71 2.12 1.61 0.38 2.42 3.85 1.27 2.11 6,04 4.47
85 1.42 1.0 3.25 1.bI 1.57 3. b 1.41 4.03 2.98
140 0.01 ¼. .IC)5ANI. 1112 9 58
57 4.43 3.41 0.82 5.11 7.92 2.82 4.66 10.26 1.12
11 3,03 2.3) (l .5b 3.50 5.43 1,93 3.19 7,03 5.01
141 0.01 N—H€ ’d 1C05A E 629947
57 3.93 2.96 0.13 4.43 7.05 2.32 3.86 11.05 8,20
11 2.11 2,0 0.48 3.07 4.88 1.61 1.67 7.65 5,68
142 0.01 00C3S hf 649910
51 3,7) P.98 0.70 4.46 1 ,13 2.31 3,d8 11.11 8,26
71 2.60 2.09 0,49 3.11 4.96 1.63 2.70 7,76 5.77
141 0.01 8.rMi:DsAP.E 6 ) 8 6 7 5
57 3.99 3.19 0.15 4.77 7.bD 2.49 4.14 11,85 8,fl
11 2,80 2.21 0.53 1.35 5.)1 1.15 2.91 8.33 6.23
144 0.01 PH fl,ACLTATL 122192
94 1.84 1.43 0,34 2.31 3.25 1.30 2.18 4.10 3.31
136 0.25 0,23 0.05 0.28 0.4t 3.18 0.30 0.57 0.42
145 0,01 B zyLAc .rAz 140 )11
9) 0.52 0.13 3.09 0.57 0.92 J.37 u .62 1.15 3.45
109 1,09 0.135 3,20 1,19 1.92 3.77 1.29 2.43 1.79
146 0.01 TE l .N 5tJbF08ATE
11 1.24 0.91 0.22 1.41 2.25 3,14 1.23 3.54 2.bl
112 0.44 0.34 0.08 0.50 0.80 3,26 0,44 1,26 0.91
147 0.01 M THT0LtJEh sU AT /
91 1.bO 1.21 3.29 1.81 .e . 9 3.95 1.58 4,53 3.35
155 0.72 0.54 3.13 0.81 1.19 3.42 0.71 2.02 1.53
148 0.01 oIrl-1yLpHTu L rE 131113
77 0,9% 0, 3 0,15 3.94 1.45 3.52 0.85 1. B 1.34
163 5,29 4.07 0.98 6.10 9.46 3,36 5.56 12.22 8.11
149 0.01 T 1YL(3LUEN SJL 3NATE
91 1.74 1.32 0.11 1.97 .14 1.03 1.72 4.92 3.bS
155 1.18 0.91 0.22 1.40 2. 3 3.73 1.21 3.46 2.35
150 0,0% )1 .rh LPHTHALAU t4 1b62
149 3.19 2.43 0.51 3.65 5.19 1.90 3,17 9.08 6,11
111 0.80 0.6) 0.14 0.93 1.47 3,48 (‘.80 2.29 1.69
151 0.01 o 18uryLpH1 AL ArE b17i2
57 0.29 0.23 0,05 0,34 0.52 3.19 0.31 0.68 0.48
149 7.17 5.52 1.33 8.27 2.9) 4.55 1.54 lb.55 11.80
133
-------
1r ternal/ gte,r .1 S1 rt ird 11e br i pd Cless I 7
Cioli Reeov,rv :o poind
Sid 159 • U Sid 161 Stcl 162 Std 163
210 *45 82 110 264 • 268 • 99
1)9 0,01 s.N0 aDI.CA L b29 2S
71 1.31 3.27 2.24 0,H7 0.b6 3, 16 2.35
85 1.01 3.41 1,50 (1.56 O.4 3.11 1,57
140 0.01 N.kjC35 N . 1124958
57 3.08 *0,35 4.25 1,bi I.3) 0.35 4,63
71 2.1* 7,09 2.91 1.12 1.07 3.2) 3.17
14* 0.01 N.HENE10SA 629947
57 2.73 9.51 4,11 1.60 1.07 3.30 4.31
71 1.69 6.60 2.65 1.10 0.74 3.21 7.99
142 0.01 .00C3SA½1 629970
57 2.P9 9.60 4.14 1.00 1.27 3.30 4.35
71 2.02 6.71 2,69 1,17 3,83 3.21 3,04
14) 0.01 d.TR1 SApii 636675
57 3.23 10.28 4.42 1.11 1.29 3.32 4,65
‘1 2.18 1.42 3.11 1.20 0.90 3.22 3.27
144 0.01 I P1 4YLACETATE 112792
4 2.31 4.43 2.12 0 ,al 0.70 3.13 1.98
136 0,18 f ,o4 3.24 0.09 3,10 3,02 0.26
145 0.01 b NZYL.ACI.TAr 140114
92 0, W 1.25 0.46 0.19 3,20 3,04 0.56
108 0.79 2.6) 1.02 0.40 0.41 3,07 1.17
146 0.01
77 0,91 3.04 1.31 0.5* 0.40 0,09 2.38
172 0.32 1.08 0.4, 0.16 3.14 3.03 0.49
147 0,01 M THYLJT0LU€S .11 F1DI41
91 1.17 3.93 1.66 0.65 0.51 3.27 1.76
155 0.52 2.71 0,15 0.29 3.73 3.05 0.79
148 0.31 D1tr1 LpIiTHAL4rE 231113
7? 0.57 1,83 0.75 0,29 0.18 3.06 0.85
163 3,68 11.87 4,k6 1.88 1 ,8 3.41 5,51
149 0.01
92 1.28 4.25 .K3 0.11 3.55 0.23 1.92
155 0,91 3.01 1.30 0.50 0,38 0,09 1.36
150 0.01 U1 TH LPHTHA [ , r 84562
149 2.35 7.82 3,34 1.30 1.02 0.24 3,54
177 0,59 1.91 0.85 0.33 J.26 3.06 0.89
151 0.01 DIauryLpHlHALArE 84742
57 0.20 0.63 0.28 0.11 0.10 3.02 0.31
149 4.99 16.75 b,88 2.64 ,52 0,55 7 ,47
134
-------
1nterni1/ zter. e1 Stani Id 11e for ip Class I 7
C plI Recovery Co pour d Name
Std S 2 Sti 154 St 156 Std .57 Std IS O
Mass 109 236 136 • 82 128 98 116 84 112
152 0.01 bUTYLBENZYLPr4THALAI .
91 2.09 1.62 0,38 2.2w 3,69 2,48 2.40 4,6 3,4%
149 3,31 2.62 0.62 i.b9 5.95 2.40 4.01 7,49 5,51
1 53 0,01 D1I:TyLH xyLP 8rHAI AT . 111817
149 5.22 4.07 0,96 5.7% 9.23 3.74 6.26 11.59 8.53
161 1,98 1.54 0.11 2.17 3.51 1.42 2.37 4.40 1.24
154 0.01 1 1LN .ALDEHYDE 103527
71 U ,3b 0,28 0.07 0.42 0.64 3.23 0,38 0.84 0.60
105 0.40 0,31 0.01 0.4b 0.7) ).?5 0.42 0.92 0.66
155 0.02 fULUALDEHY0 529204
91 0,54 0.44 0.10 0.65 1.34 0.34 0.57 1.65 1.21
119 0.63 0.5% 0,12 0,11 1.23 0.41 0,68 1,95 1.43
156 0.01 AET OP$1(NONE 9 8b’ d
71 0.38 0.64 0,15 0.96 .53 0.53 0.87 1,93 1.31
105 1.22 0.94 0.23 1.41 2.25 3.78 1.29 2.85 2.0)
157 0,01 SAL1CYL.ALOEUYD 90u28
121 0.56 0.44 0.10 0.bI u. 9 3.40 0.67 1.24 0.91
122 0,60 0.47 0,11 0.60 2,37 3.43 0.72 1.34 0.19
158 0.01 AN ISAL OEI4Y OE 123115
135 1.37 i.0 0.25 1.53 2.47 3.91 1.66 3.11 2.29
lib 0.96 0,16 0.18 1.01 1.13 3,70 1.16 2.18 1.60
159 0.01 PH NOL 108952
94 1.07 0,84 0.20 1.18 1.93 3.16 1.27 2.41 1.77
160 0.01 RE5UL(PJ 106445
107 1,21 0,93 1.23 1.40 2.25 3.80 1.29 2,91 2.38
108 1.01 0.82 0,20 1.24- 1 . 9 3.b9 1.14 2.58 1.84
161 0.01 2,3—D1 ETHYLPl E 3L 526753
107 0.87 0.67 0.16 1.00 1.61 0.57 0.95 2.08 1.48
122 0,91 0,70 0.11 1.05 1.b4 3,58 0,96 2.12 1.51
162 0.01 JS3P83PYLPFIEN JIJ 81ft99
121 1.79 1.36 ),32 2.04 3.25 1,07 1.18 5,10 3.77
136 0.07 0.56 (1,12 0,15 1.19 3.39 0.65 1.87 1.38
163 0,01 0—N ITR3PHENUL 88755
65 0,03 0.02 0,00 0.03 0.35 0.02 0,03 0.06 0.05
139 0.13 0.13 3.01 0.14 0.23 3.09 0,15 0.29 0.21
164 0.01 4HL3R03M II1YLPr Et13(, 59507
101 0.93 0.71 0.17 1.Ob 1.S 0.55 0.92 2.64 2.95
142 1.02 0.77 0,18 t.lb 1.84 3.61 1.01 2.89 2.14
135
-------
1ntern I/External Stan lrS Pile tot upd 1as5 • 7
C.pdi Recovery Cobpound ie
st •59 St 160 Sti 161 Std $62 Std .63
as 1 )0 125 2 110 264 • 1 8 • 99
152 0.01 BUTYL LZYLPI Tr ALAT
91 1.5% 5.02 3.95 0,lb 0 ,lb 3.14 2.24
149 2,44 R ,13 3,15 1.22 1.26 3,23 3,62
153 0,01 DIET Y I 1 HCXY ‘HfHAi A1I. 117817
149 4,0) 12,b 4,88 1.89 1,90 3.35 5,61
167 1.53 4.7w 1.85 0 ,12 0,12 3.13 2 ,13
154 0.01 1.NlAL0EUYL)E 330527
77 0.25 0.8 0.35 0.13 .13 0.03 0.38
105 0.28 0,93 3,38 0.15 0,14 3.03 0.42
*55 0.01 TDLUALDEHY OE
91 0.42 1.41 0.61 0.24 0.15 0.64
119 0.50 1.66 0.72 0.28 0.22 0.15
156 0.01 A ETU?HENU E 98 8b2
77 0,51 1.95 0,80 0,31 0.29 3.06 0.87
105 0,85 .,98 1,18 0.45 0.43 3,09 1,28
157 0.01 S1CYLALD .H1D . 9002d
121 0.41 1.35 0.52 0.20 0.21 0,60
142 0.44 1.4b 0,56 0.12 0.23 0,65
*58 0.01 A 4ISAL DEhWr 123315
135 1.01 3.36 1,10 0.51 0.53 1.50
136 0,71 2.36 0.91 . .3b 3.31 1,05
159 0.01 10 952
94 0,75 2.60 1.01 0.39 0.41 3,07 1.15
160 0,01 PE.S0L(P) 106445
101 0.88 2.85 1.17 0.45 3.44 0.10 1.31
106 ‘),1H 2.52 ‘.03 0.40 0.39 3.09 1.16
Ibi 0.01 2.3—D1THPH ,)I 526153
107 0.& 2.11 0.84 0.32 0.32 3.07 0,94
122 0,64 2.14 J. b 0.33 3.32 3.07 0.95
162 0.0% 1SrJpF DpyLpIl N31. 88699
121 1.Th 4.3 1.90 0.73 3.58 3.14 1.99
13b 0.47 1.61 0,69 0.27 0.21 3.05 0,73
163 0.01 U.U11R PH h3l 8b755
65 0.3. 0.)1 0.03 0.01 0,01 3.00 0.03
139 0,09 0.31 0,12 0.05 3.05 0,0% 0.14
164 0.0% 4 .HL,3R0—3—TY Pp EP ,3 ( .. 59507
101 0,66 2.27 0 ,9i 0.38 3.30 3.07 1.03
142 0,72 2.49 1,07 0.42 0.32 0.08 1.13
136
-------
Intern 1/Exterr 41 Stanleri File tor : pd Cau i 7
Cmpdl Recovery o pojr N e
Std P 2 St P54 Std 156 Std 151 Std S5
Nass 109 236 136 — 82 128 98 116 84 112
165 0.01 4.CHkUI $0L
101 0,83 0,64 0.16 0.97 1,57 0.53 0.88 2.03 1.45
142 0.94 0.12 0.11 1.09 1.17 0.60 0.99 2.29 1.61
lbb 0,01 1.NAP8IhUL. 90153
115 0.15 0.26 0.06 0.38 0,61 3.20 0.34 0,96 0.72
144 0,61 0,45 0.11 0.61 1.37 3.35 0.29 1.66 1.25
161 0.01 p.Tr.buryLphI 98544
107 0,56 0.43 0.10 0.65 1.J 3.34 0.56 1.60 1.18
135 1.96 1.49 0.35 2.22 3.54 1.11 1.94 5.56 4.11
168 0.01 2.N1TR3Zk j3L 119335
77 0.26 0.23 0.05 )•3() 0.46 0.01 0.27 0.60 0.43
153 0,74 0.57 0.14 0.83 1.33 3.46 0.18 1.72 1.23
169 0.01 2.4.L)1HLUR0Pr1 3b 120032
162 1,13 0,88 0.21 1.24 2.33 3.80 1.34 2.52 1.86
164 0.72 0.)) 0.13 0.78 1.21 3.51 0.85 1.60 1.18
170 0.01 2,4,bIKlCHL3HDPH .M3L 88062
196 0,H1 0.6 , 0.15 0.d9 1.44 3.58 0.97 1,68 1.34
198 0.83 0.64 0.15 0.91 1.4b 3.59 0.98 1.90 1.Jb
171 0,01 D I • T k. 4 T — b UT V • 1— M . lily 1. P HE U U I 128 370
205 2.53 1.97 u,41 2.18 4.49 1.81 3.03 5,bb 4.16
220 0.67 0.52 3.12 0.73 1 .s 3,48 0.80 1.49 1.39
112 0.01 P NTAHLO#UP.9DL 818b5
264 0.29 (,.22 0.05 0.34 0.54 3.19 0.31 0.72 0.52
266 0.47 0,36 3,Q(, 0.55 0.91 1.32 0,54 1.17 0. 4
173 0.01 2—TYL UAPHTH LaE’ t 91576
141 2.03 1.58 0.38 1.23 3,63 1,44 2.42 4.53 3.34
142 2.51 1,96 0.46 2.lb 4.45 1.19 2.99 5.62 4.13
174 0.01 APHTHE d3329
153 1.26 0.98 0.23 1.38 2.22 3.89 1.49 2.8l 2.Ob
154 3.40 2.64 0.63 3.13 6.32 2.41 4.04 7,S,j 5.58
175 0.31 BIPHE JYL 92524
154 2.28 1.78 0.42 2.51 4.34 I.b3 2.72 5.10 3.15
176 0.01 1,8 01THYLN PH1HALEt 569415
141 1. 9 1,24 0.29 1.74 2. 2 1.13 1.89 3.55 2. 1
156 2.30 1.79 0.42 2.52 4.01 Lb3 2.73 5.13 3.11
111 0,01 FLULikENE 86731
365 2.74 2.13 0.49 3.01 4.85 1.95 3.27 6.12 4.50
lbb 3.07 2.38 0.51 3,44 5,55 2.23 3.14 6.99 5.14
137
-------
Iflternil/Externjj Sten ir File to g I d Class I 7
C pd I Recovery Cospound Nate
Std 159 St 160 Std 161 Std 162 Std 163
M1 5 5 110 125 82 110 2b4 • lbS • 99
165 0.01
101 0.58 1.96 0,00 U,3 0.31 0.07 0.91
142 0.66 2,23 3.85 0,34 0,35 0.08 1.03
166 0.01 l—’dAPIfTHOL. 90153
115 0.25 0.83 0.36 0.14 0 .ti 3.03 0,38
144 0,44 1.45 0,b2 0,24 0.18 0.05 0,66
167 0.01 P.TLkT—bUTyLW sj 98544
107 0,40 1.38 0.66 0,13 C.Ib 3.04 0.b2
135 1.44 4,19 2,04 0,80 0.63 3.15 2.16
168 0,01 2— 1r8z,:HI.su1. 1193)5
77 0,18 0.61 0.25 0.10 0.09 3.02 0.27
153 0,52 1,74 0,11 0,2? 3,lb 0.06 0,18
169 0,01 2,4.D1 HLupop sj 120832
162 0,80 2.73 1.05 0,41 0.43 1.22
164 0.53 1,73 0.61 0.26 0.27 0.77
170 0.01 2,4.b•rR1Clw 3p I N3L 88062
196 0.58 1.91 0.76 0.30 :1.91 0.05 0.88
19$ 0,58 1.99 0.77 0.i0 0.31 3,06 0.89
171 0.01 128)70
205 1.85 6.13 2.31 0.92 0, b 1.11 2.73
220 0,49 1.61 U.b 0.24 3.25 0.05 0,72
172 0.01 P NTALUPUPIiE’ JI. 81865
264 0.20 0.68 0.28 0.11 0.11 3,o 0.31
266 0.6 1.11 0.45 0.01 0.18 :1.04 0,50
173 0.01 2 —rHyLP 4pHrHA( NE 91516
141 1.48 4.91 1.90 0.74 0.71 0.14 2.19
142 1,78 6.Od 2,36 0.91 3.95 3.11 2.11
174 0.01 A EP .APHTI ErSC 3329
153 0.92 3.04 1.3 0,46 3.41 0.09 1.35
154 2.48 8.?2 3.19 1.23 1.19 3.23 3.66
175 0.01 B1pIIE dyL 92524
154 1.67 5.52 2,14 0.83 :1.87 3.16 2.46
176 0.01 1,8—0IMETHyLN pHfHA( NE 5€9115
141 1.16 3.84 1,49 0,58 ).bO 0.11 1.71
156 1.67 5.55 2.15 0.83 3.87 3.16 2,48
177 0.01 8b137
165 2.00 6.62 2,57 0.99 1.04 3.19 2,95
166 2.28 7.57 2.93 1.14 1.19 3.21 3.38
138
-------
Lfltsrrml/Ixternel Stand ri FIle t r pd C1a55 $ 7
Capd$
Recovery
Compound Mame
SLd I 2
St 154 Std 156 Sti .57
Std
158
Nals
109 236
136 • 82 1 8 98 116
84
112
178
0.01
2.3.S.TP1rH!*PI4rHAL. L 2245387
155
1,96 1.44
0.34 2,08 3.36 1,ib 2.27
4.24
3.12
170
2,56 1,99
0,47 2.86 4.62 1,Bb 3.11
5,83
4,29
179
0.01
ANTUI4AF 4 I. 120127
118
3.21 2.47
0,60 3.71 5.74 2.04 3.38
7,43
5,30
180
0.01
P1I’INE 129000
202
4,88 ),1
3.95 5.66 8.73 3.2’ 5.18
11.54
d.23
181
0.01
9, 1o—o1 THyLrHpA:L 781431
191
1.33 1.03
0.25 1.45 2.35 0.94 1.51
2,96
2.18
206
2,85 2.22
0.53 3.1) 5.34 2.31 3.31
6.36
4,68
1*2
0.01
CH iSENE 218011
228
2,21 1.73
0.41 2,42 3.92 1,59 2.66
4.91
3.61
183
0.01
PEI4 t.tNt 199550
252
1,60 1.23
0.30 1.84 2.3b 1.02 1.68
3,67
2.62
184
0.01
D1:1AM aU1APd1. 111b93
41
0.66 0.51
0.12 0.12 1.17 0,47 0.79
1.47
1.OR
54
0.29 0.23
0.05 3.32 0.52 2.10 0.35
0,66
0.48
185
0.01
8UT1IJARbAMAI 14994715
41
0.48 0.36
0.09 0.54 0.86 3.29 0.41
1.35
1.00
59
0.24 0,26
0,05 0,29 0.47 3.15 0.25
0.72
0,54
186
0.01
OIBUIYL.DISULF13E 110065
41
0,73 0,56
0.13 0.84 1.34 3,44 0,73
2.10
1.55
57
3.09 2.36
0,56 3.54 5.64 t.B5 3.09
8,84
6,54
181
0.01
8Isu.:HLopoLr y )ErHAN 112265 /
63
1.71 1.31
0.31 1.97 3.13 1.03 1.11
4,91
3.63
93
0,94 0.65
0,15 0.97 1.54 3.51 0.84
2,42
1.78
188
0.01
?RIE uzYLPHOSPHAf 126738
99
4.03 3.10
0.75 4.65 1.20 2.56 4.24
9.28
6 ,b2
155
0,88 0.69
0,16 1.01 1.57 3.56 0.92
2,02
1,44
189
0,01
AL0 1 . 309002
66
1.33 1,03
0,24 1.49 2.40 0.97 1.62
3.03
2.23
263
0.60 0,46
0.11 0.61 1.08 0,44 0,73
1,36
1.00
190
0 • 01
D I H 1 DR39ENZCFLJkAN 4961 62
91
0.68 0.52
0.13 3.19 1.25 0.43 0.72
1.58
1.13
120
0.97 0.75
0.18 1.12 1.61 3.66 0.78
2.16
1.54
191
0.01
N1r uNzE 98953
71
0,86 0.67
0.lb 0.94 1.51 3.61 1.02
1.91
1.40
123
0,54 0.42
0,10 0.59 0.95 0,38 0,64
1.20
0,89
139
-------
1nterne,i/i terrie1 Stan sr Pile tot : pd Class I 7
CmPdl Recovery CotPouna Nl
St 159 5L 160 St IS! Std 1o2 Std lb.)
Mass 110 125 2 110 264 • 198 99
178 0.01 2..s.T 1sLrHAPHrH L Nt 2245387
155 3,38 4,59 1.18 0.69 0,72 0,13 2.05
170 1.90 6.31 2.44 0.15 o.9 3,19 2.81
179 0.01 kNT IR&EN . 120121
1’B 2.24 7.59 3.Ob 1.19 1. !.) 3.25 3.35
18. 3.01 PYREk 119000
202 3.59 11.47 4,95 1,90 1.80 0.40
18 ! 0.01 9, )0—D1M 1H L1HI AP.’ I 781431
191 0,96 3,19 1.24 0.48 3.51) 0.09 1,42
206 2,06 6.86 2,61 1.03 1,03 3,19 3,06
192 0.0! HRYS Nt 21H31
228 1.61 5.34 2.01 0.80 0. 1 2.39
183 0.01 P RfL dF. 198550
252 1,11 1.72 3,53 0.59 3 . .1 0 12 1.65
184 0.3! 01CY3BUTA I 111693
41 0,48 1.59 0,62 0.24 3.25 0,05 3,71
54 0,22 0.71 0.28 3.31 0.11 3.02 0.32
185 0.01 bUTY1 AR jAJ ATL 14994775
41 0.15 1.16 0.50 0.09 3.15 0.04 0.52
59 0.19 0.6) 0.21 0.11 3.09 3.02 0.2b
186 0,01 DIBUIYL.O ISULrIOE Iloobs
41 0.54 1.78 0.18 0.31 0.20 0.06 0.82
57 2.2! 1.62 3.29 1.21 1.30 3,24 3.42
187 0,01 112265
63 1.27 4.23 1.83 0.11 0.56 3.13 1.91
93 0,61 2.uO 0,90 0.35 0.21 0,06 0,94
138 0.01 TRZbu1 L,PHUS tE 12b738
99 2.8) 9.43 L87 1.49 1.41 0.3! 4.19
155 0.6! 2,05 0.84 0.32 .31 3.07 0.91
199 3.01 ALDP1 309002
66 0.99 3.28 iai 0.49 0.51 3.09 1.46
2oJ 0.44 1.47 0.57 0.12 0.23 3.04 0,bb
190 0.01 D1HYDRJ8ENZ3YURA’ 496162
91 0,27 1,59 0,65 0.25 0.24 0.05 0.71
120 0,68 2.21 0.90 0.35 3.33 3.07 0.98
191 0,0 ) r kRBENLEr.P. 98953
71 0,61 2,01 0,dO 0.31 3,33 0.Ob 0,94
123 0.38 1.30 0.50 0.20 0.21 3.04 0.59
140
-------
1 ’ternal/Exterrial Stan aid File tDr tpd Class I 7
Cspdl Recovery Coepouri9 Nate
St I 2 St iS Std .56 Std •57 td 158
Mass 109 236 136 — 62 140 99 116 84 112
192 3.01 &NZnTh1AloU 9S1b
135 1,56 1,21 0.29 1.71 2.16 1.11 1.86 3.47 4.55
193 0,01 PHE Y% .:AethAM4rc 102390
94 1,25 0.96 0.13 1.44 2.23 0.79 1.31 2.88 2.06
137 0.02 0,01 0.00 0.32 0.33 0.01 0.0 0.04 (a,03
194 0.01 2,4.Dlw1TkoTuLu NC 121142
89 0,35 0.28 0.Jb 3.40 ).b5 0.26 0.44 0.81 0.60
lbS 0.71 0.53 0.13 0.75 1.2% 3.46 0.76 1.53 1.13
195 0.01 k3 NZ1L.SULF1D 538149
91 3.55 2.69 t).bl 4.00 6.38 2.10 3.19 9.99 7.d2
123 0,90 0,68 3.16 1.02 1.62 3.51 0. 9 2.54 1. 3
196 0.01 DlPH1. d1L.StJl,FUNC 121639
125 3.82 3,44 0,81 5.Ib .21 2.71 4.51 12.95 8.55
218 0.92 (1,73 0.11 1.10 1.15 0.58 0.96 2.74 2.03
p197 0.01 TRIPH NTLPIi3SP,iA1E 115866
‘)25 2.59 2.01 0.13 0.79 1.28 0.52 0.87 1.61 1.18
326 0.09 0.01 0,17 1.03 1,61 0.68 1.14 2.09 1.54
198 (i.01 D PHE lYLMER UR 581859
11 0.72 0,56 0.49 2.85 4.59 1.9b 3.28 6.08 4.41
356 0.95 0.74 0,01 0.09 0.15 0.06 0.11 0.20 o.i
199 0.01 TETPAPHL LT1 4
197 1.40 1.13 0,27 1.’O 1.11 3.69 1.47 4.21 .1i
S1 1.30 1.05 0.25 1.5% 2.51 3.82 1.31 3.91 2.91
200 0.01 bENZY1.HLW lDE 100447
91 1.55 1.18 0.28 1.17 2.82 .1.93 l.j4 4.42 3.28
126 0.42 0.32 0,08 0.4 0.76 3.25 0.42 1.20 0.89
201 0.01 4—HR0Bt NZDM1IRlL 623030
1C2 0.55 0.42 0.10 0.63 0.9 3.33 0.55 1.57 1.16
137 7,10 1.57 0,36 2..,8 3.19 1.25 2.06 5.95 4,40
202 0.01 3—ZHL!iHUb NZ.At 1 DEHYOE 587042
111 0.06 0.05 0.01 0.12 0.04 v.07 0.20 0.14
139 0.12 0.10 0.02 0.15 0.24 3.08 0.13 0,38 0,28
203 0.01 0—CHL 0AN1S0LE 166518
127 0.60 0.46 0.11 0.69 1.39 3.36 0.60 1.11 1.27
142 1.3i 1.03 0.24 0.50 2.4 3.79 1.31 3.76 2.1
04 0.01 HLOk.B .’dlAMID 619567
9 0,10 0.55 0.13 0.11 1.25 3 . 0 0.84 1.5i 1.16
55 0,36 0,30 0,07 0.42 0.S8 3.2, 0.46 0-85 0.b3
141
-------
1nt,inet/$zter o1 Ster d,rd 11e t,r : pd CLou • 7
C.p S Recovery Coepound N6Pe
Sto 159 Sto 160 Std •61 514 162 Std .63
Ne ss 1*0 125 62 110 264 • 1 8 • 99
*92 0.01 8LP$ IAZ OLI
*35 1.14 3.7b 1.46 0.57 0.59 3.1* 1.66
*91 0.01 PHCNY I,*RBAMATE *0 1090
94 0.67 2.92 1.20 0.46 0.44 .10 1,30
*37 0.01 0.04 3.01 0.01 0.00 3.00 0,02
194 0.01 2,4.D18JTP(JT0l.UC E 121*42
89 0.27 0,86 0.34 0.13 0.14 3.03 0.39
16 0,50 1.66 0,64 0.25 0,26 3,05 0.74
195 0.01 8 ZYLSUt,I ID E 538749
91 2.47 q.62 1.72 1.44 1.11 3.27 ).Q0
123 0.63 .19 3,94 0.37 3.2 3,07 0.99
196 0.01 DIPIftWYLSULF0 t 1276)9
*25 3,00 11.09 4,77 1.85 1.22 3.35 5.05
218 0,67 2.36 1.02 0.29 0.30 0.07 1.07
97 0,01 rP!P 4ENYLPH3SrI4&TE 1*5866
325 1.98 6.58 2.55 0.95 1.03 3.38 0,78
326 0,06 0.22 0.08 0.03 0.0) 3.01 1.02
198 0.0* 01PHEh LML!4UP* 561859
77 0.53 1,75 0.68 U.Z 6 3.2t. 3.05 2.94
356 0,69 2.28 0.88 0.34 0,35 3.06 0.10
199 0,01 TEtRAPHc.N1L .TI’
197 1.10 3.66 1.57 0.61 0.44 3.13 1.56
351 1.33 3.43 l.lb 0.57 0.41 3.11 1.54
200 0.01 bE zn .:HL,o IDE 100447
9* 1.13 3.81 1.’ 4 0. 4 0.50 3.1? 1.71
126 0,30 1.03 04S 0.17 0.12 3.03 0.47
201 0.0* 4— 8L)R0BFNZD’ ITk1LE 623033
102 0,39 1,)5 0.58 0.23 0.18 3•(j4 ( .61
131 1.49 5.12 2.21 0.85 3.61 3.16 2.32
202 1 .01 3 • P’ i P0 d 81 A 1 ,0 E ,4 Y D1 587042
111 0,05 0.17 0.07 0.03 0.82 .tO 0.88
139 0.10 0 ,il 0.14 0.05 0.04 0,01 0,15
203 0.01 0—HL3P0AP JS0L , 7bb5 18
127 0.43 1.48 0,64 0.25 0.17 3.05 0,67
142 0,94 3.24 1.40 0.54 0.36 3. 0 1.46
204 0,01 CHLORJb .’ ZAMID€ 619561
139 0.51 1.70 0.(..6 0.2b 0.21 3.05 0.76
155 0.28 0.92 0,36 0.14 0.15 3.03 0,41
142
-------
Iritern.L/Exterrial Sten1 rd Itle for iPd Class I 7
Ceodi Recovery Co pour d Home
Std P 2 Std $54 SId $56 Std $57 Std $56
ass 109 236 136 62 328 99 116 84 112
205 0.01 3,s.Dz:llLo Db 42.ALDEH DE 6267383
17) 0.48 0.39 0.09 0.58 0.93 3.31 0. 7 1.46 3.07
174 0.32 0.26 0 .Ob 0.39 0.6? 3.21 0.34 0.98 0.72
206 0,01 1,2.1PiCHt.OP3NZ .P ’P 320821
145 0,34 0.26 0.06 3,40 0.63 3.22 0.36 0.80 0.57
180 1.30 1,00 0, $ 3.50 2.43 3,83 1.31 3.03 2.16
207 0.01 2 —BR D—1—CHL0RD8EN EN 694804
190 0.78 0.63 0.14 O.8 1.38 3.55 0,92 1.74 1.28
192 1.04 0.81 0.19 1.14 1.84 3.74 1.24 2.33 1,11
709 0,01 1,2—OILiROPdAPHrtIAUNC 2050693
161 0.44 0.34 0.08 0.SO 0.78 3.28 0.46 1.01 0.72
196 2.17 1.67 0,40 2.51 3.98 3.38 2.29 5.03 3.58
209 0.01 1,2,4.5.TRA2HLDP0H iLE’lI 95943
234 3,18 0.90 0.22 I, 9 2.39 3,84 1.40 2,63 1,94
216 1.54 1.18 3.28 1.69 2.72 1.09 1.83 3.43 2.52
210 0.01 P. )13 uB .NzNE 106376
734 0,68 0,52 0.12 3.11 1.?3 3.41 0.67 1.93 1,43
236 1.29 1.00 0.23 1.48 2.36 3.78 1.30 3.71 2.9)
211 0.01 4*BRO)D1PH NYL.ETH .M 6452499
248 1.08 0.81 0.20 1.19 1.92 3.T1 1.29 2.42 1.18
250 1.13 0.88 0.21 1.2b 2,34 0.82 1.37 2.57 3.99
212 0.01 HEXACH 0ROB HZ NC 118143
284 Q,74 0.56 0.13 0.84 1.34 3.44 0.73 2.10 1.55
286 0,60 0.46 0,11 0.68 1.06 0.3o 0.59 1.70 1.2b
213 0.01 ?HY1.sTF.AkArC 112638
74 3.42 2.65 0,63 3.89 6,28 2.54 4,25 7.90 5.83
87 2.22 3.72 0.41 ?.52 4.07 3.65 2.76 5.13 3.71
43
-------
Internal/External Standard File for tpd Class I 7
Crodi Pec very o pound Nate
Std 159 St J $60 Std $6 ) Std $62 Std 163
Mass 110 125 82 110 264 — 188 — 99
205 0.01 3.4—01 HL0I 0BlNlAbD 4YD 6287383
113 0.17 1.25 0.54 0.21 0.17 0.04 0.57
174 0.25 0.94 0.36 0.14 0.11 0.03 0.38
706 0.01 1.2,4.TP1CIlL0RENZ E 120821
145 0.24 0.89 0,33 0,13 0.12 3.03 0,36
180 0.89 3.05 1.25 0.48 0.46 3.10 1.36
201 0.01 2*ti 0M01—CHL0R3BLNZEP E 694804
190 0,57 1.88 0.73 0.2k 0,30 0.05 0.84
192 0,76 2,52 0.98 0,3 11 0.40 0,07 1.12
209 0.01 ).2—D1:HLUP0N PHrI4AL .P E 2050693
161 0,31 1,02 0.42 0.16 0.15 0,03 0,46
196 1.52 5.09 2.08 0,80 3.16 0.21 2.27
209 0.01 1,2,4,5TF.TI A r1tj3R0bEPdlENF 95943
214 0.96 2.85 1.11 0.43 0.45 0.08 1.27
216 1,12 3.12 1.44 0,56 0.58 3.1) 1.66
210 0.0) P —0I8R3M0lW.MZE 4E lObJib
234 0,49 ).bb 0,72 0,28 0.19 0,05 0,75
236 0.93 3.IB 1.3 0.53 0.45 3.10 1.45
211 0.01 4—BR l3D1pHENyLErH p 6452499
248 0.79 2.61 1.01 0,39 3.41 3.07 1. 17
250 0.84 2.78 1.08 0.42 0.44 3.08 1.24
212 0.01 HEX HL0K0B Nl dE 118741
284 0.53 1.83 0,78 0.30 0.24 0.06 0,82
286 0.43 1.46 0.63 0.24 0.19 3.05 0,66
213 0,01 METHYLSTEARATE 112618
14 2.58 8.56 3.32 1.29 1.33 0.24 3.83
87 1.67 5.55 2,15 0.83 0.87 9,16 2.48
144
-------
Table B-8. Ri Rs AND RECOVERIES FOR WARN CO9POUNDS
(ACCtJflULATOR COLU?IN, pH 8.0)
— =
Class No. 8
=
Standard 1D No.
Standard Name
2
4-F1uoro-2-jodoto3uc e (e .ternal)
54
d 8 -Naphthalene (interna1)
56
d 5 -Nitrobenzeue (internal)
57
d 10 -o-Xylene (internal)
58
d 5 -Phenylethanol (internal)
59
d 5 -AccLophenone (internal)
60
d 5 -Propiopheuone (internal)
61
d 12 -Perylene (internal)
62
d 9 —Acridine (internal)
63
d 5 Pbenol (internal)
145
-------
M ’ITI IX OF STA’ I), llI) ION RMI
SI 4 , .J T d
Iy lrne 4 3 Nap .Ih.I...
Co.ç,oia d Ion Ic o cI .11 91 •/g)0 •/s 116 .?.IZ ./g I 3 ./s I I .fs I I?
d 5 .pP enol 99 ii IS . .1.1(9) .9 ’J (9 ) 17(b) U OIlS) 1.061)) 2 •I(I .J 1.70( 11.)
d 10 -o- il nt 93 0 7 I 71(9) 1.67( 1) .1 I6) I 79(3) 2 SI(s) I 21(27) 3 07(21)
(lb 0 76 I.0i ( 4 .l’ (O) • 1 5( 6) I 07 (I) I 7 1 ( 1) 2 $31.1) I 31(11)
136 0 79 S.97(J) 3 5 1 (7) 5.05(7) . $ ( )) U I )) II 63(11.) I D $ (IS)
*2 u s: 97(I) SIUf) 95(10) (4(3) . I 6 0 (I) i *su?p I 70(14)
I. S n : 6l(. ) V. (4) 1.9 ( ’) loll) b u I) • I 17( 16) I 07 11$)
. 7,
dçphenr ltlhano l II II 73 .47(11.) .21. 124) 42(74) 1IIS) 14116) 70 1 1$) — .73(2 )
Ill 0 73 S OIlS) 3 5(2. ’) .1.5(fl) 09 1(1 5) 61(10) 95(10) I 39(2)
d 5 -prop lophenan. *2 0 93 I 09(4) 65 ( 13) I 07(11) IS(S) I 00(6) I *206) 2 63)11) I *0 1 10)
110 I I 9 2.5 5( 5) I 67113) 2 13(111 43(17) 7 93(0) 4 7:(o) 3 11(12) 4 95( 11)
d •lCI(OpPleflOfli 110 U 37 I SU) .90(7) 0 1.0(3) 25(4) I 00 (1.) 2 1. 5(I) 1. 711,7) 2 31(16)
a.’ 115 0 57 4b(Z) 27111 ic (7) 2 0( 9) 4 5 ( 1) 7 1(1 ) 1. 11( 15) SIll?)
a 12 .pi 7 1.n. 204 U 02 3 Sb( 13) 2 09(1) 3 15(3) .60(9) 3 70111) 1. 90(12) I S2 Z1.) 4 37(13)
d 9 -scr ld l n. 0 • I 45(7) 10(11.) I 43(11.) 24( 5) I Sl b) 2 40(0) 3 1. 1(13) 2 1.5(0 ))
4.Z )uoro-2- (o4otoI n. 009 t ’4 I 10 (4) 65(7) 1.601 11 (3(3) I tall) * 52 (2 ) 2 6911 1) I •7lI )
230 ‘4 I 43,4) .64(0) * 39(7) 2 4 ( 0) I 43(3) 2 3’t)I 3 41115) 2 1.2(11)
(cont nucd)
-------
SI .n,Ji. I
4 9 .*u 1J 18. (-I 8. r9-1
Co.’v .rnJ ./1 92 •‘! • — ---—- !‘ •
99 U IS 9 1( 3) . ) IS) 6 1 (J) 2.?It 10)7) 9113 1 71(4)
d*o o.IyIene 9$ 0 76 1 S1 1*2 l 61 11*) I 13)7* 3 77 171 33 1 10 1 * .‘0 ) 13I * .9 19I I 11(91
116 ii ?t 9 3 ( l )) 37 l :p 9? 6I 2 17(71 7 2 ) 13) 94( 6) 71 1 .)
d 4 .r tl taI , *16 0 7’è S 3*79) 2 I )(9 ) 3.9*14) *3 *1(3 ) I ‘94(3) 4 1019* S 13 ) 1 ) 4 24( 1)
IO 0II .8 82 n s: $746) .39(6) 3II) 2 lIla) 19 119) 87)9) . 1 12) •SU )
*29 n $ 33 (6) .2:16) 3.7*) I.5 13* 1 9U05 42(93 53434 ( 2 ) 14
$4 0 79 .394)7) .IS(I0 1 :.* 191 93112) l l$ 1 1 29 1 1*) 3911$) .10( 17)
111 0 74 SilittI . 2 1( 1) 1 )116) * :1(161 18 7 1 I 4(3*34 S 1 11 ) 47*8)
d .p t9p4opP ef on. I ) 0 93 .9 17 11 71I I 2 4U 19 ) 79(3) I C (?) Ill, )
110 0 91 1 4Q 1 1) I l I .I 6 lIl t .) •(II ) 7 CU(S) 1 37(7) 3 99*1*
d 5 -tcsropt .non * 70 0 *7 I 4 1 )8) 33) 1. 1 ( ) 4 47(14) I *9)9) i’* l CPU)
Ill I’ (7 (256) l 9l I SO I l) - 4(I9 I 8718)
d 12 -p.r !..t. lb$ U ‘.1 709(11) I 17)161 2.37(Ilà 7 1 1( 1 7) 1 %Q(Ib 3 . 1 (1J I 81171
d 9 -acrIJIr . *99 II 7 I 38(3) 324 3 * 93( 10) 1 13(11) )‘ilu) . * )1) 1 ).Q3 (4 1
4 Ili.oro .2 Iodo( 0 1 1467 109 6% 01*7* .3I ( I 1141 1 1 “ U I 1 I IU I 7 9% ,) 17j 18
238 6% 1 711 , 1 SII ) 97(3) ‘: *7i. I t9 Ilp
(CV).
-------
1n1ern 1/Esterri 1 StIr ti1rd 11e tor bpd Class I B
C.odO R t0veTy Co Poun0 ai
Std I 2 Sti .54 Sta 156 SId 151 StO 161
sass 109 236 136 — 82 128 98 116 264 —
100 0.01 PYRI Orft 110861
52 0,29 0,22 0,05 3.33 0,61 0.19 0.32
79 0,44 0.34 0,08 0,61 0.18 3.30 0.50
101 0,36 ALPHA-P10LI 1090b8
66 0.16 0.20 0.05 0.30 0,46 0.16 0.27
93 0.66 0.5 ) 0.12 0,76 1.18 0.40 0.66
102 0.34 AdIL1 C 62533
66 0.23 0.19 0.04 3.28 0.41 0.15 0,24
93 0.16 0.54 0.13 3.91 1.25 0.45 0.74
103 0.95 LUTID I8E 109485
106 0.13 0.10 0.02 0.15 0.25 0.08 0.13
107 0,22 0,16 0.04 3.24 J9 3.13 0.21
104 0.01 T3LU1DlN1 106490
lOb 0.89 0.69 0.16 0.97 1.57 0.64 1.07
107 0,11 (1.56 0.11 0.78 1.?? 0.51 0.86
105 0.95 INI)OLE 120729
90 0.77 0.54 0,1) 3.82 1.30 3.43 0.71
117 1.97 1.45 0.34 1.14 1.89 O.bl
106 0.94 2,3,6—TR1M TI11 LPYRID1NE 1462846
120 0,66 0.51 0,12 3.7b 1.19 0.42 0.69
121 0,90 0.69 0.17 1.03 1.61 3.55 0,91
107 0.87 2,6—0Iw .THYLA .1L.1NE 1300738
lOb 0.36 0.27 0,06 0.41 0.65 0.21 0,36
121 0,57 0.44 0,10 0.bb 1.34 0.34 0.57
108 0.95 M—HL 3POANIL INE 138429
127 1.09 0.84 0,20 1.26 1.94 0.69 1.15
179 0,34 0.26 0.06 0.29 0.63 3.22 0.36
109 0.91 OU INOLIWF 91225
129 1.82 1.41 0.34 1.99 3.22 1.30 2.17
110 0.77 P—’4lTR3 N4 [ .1NE 100016
bS 0.44 0.35 0.08 3. 2 0.83 3.27 0.46
138 0.56 0,45 0.21 3.67 1.07 0.35 0,58
111 0.90 2.4—DlMETHYL0UI )L1I.E 1198374
156 0.41 0,32 0,08 0.47 0.75 3.26 0.43
15? 2.01 1,54 0,37 7.3! 3.59 1.21 2.11
112 0.01 1.8—01AMLNONAPH1HALE E
124 0.03 0.02 0.00 0.04 0.36 3.02 0.03
141 0.05 0.04 0.01 0,Ob 0.01 0,03 0,05
In
14 ”
-------
1ntern i1/Fxtern 1 Standard File tor pd Cla%5 $ 8
Cmodl ReCovery ComPound P aIe
sti •61 st i $63
sass 188 99 —
103 0.01 PYRIDINE 110861
52 0.02 0.30
79 0.04 0.50
101 0.16 A1 PHA—P1 fJL1 10906H
66 0.02 0.27
93 0.05 0.69
102 0.34 W1LPiE 6253$
66 0,02 0.24
93 0.05 0.13
103 0,95 LUT1D1N 109485
106 0,01 0.15
107 0.02 0.24
104 0 ,01 TDL U1D1Nt. 106490
106 0.06 (?.96
101 0.05 0.77
105 0.95 N001.€ 120129
90 0.05 3.19
117 0.15 2.12
106 0.84 2,3,6—TPITUYL PYl 1 1P E 1462846
120 0,05 0.67
121 0.01 3.94
107 0.81 2,6 D1METHYL,ANILIP E 133313L
106 0.03 0.40
121 0.04 0.64
108 0.95 M—H1 ]R0AN1L1 109429
127 0.98 1.14
129 0.03 0.35
109 0.91 3U1N0L1b 91225
129 0.12 1.96
ItO 0.77 P—’IITRJANILIPff l 3 0 0ib
65 0.04 0.51
138 0.05 0.65
111 0.90 2 9 4—DIM T11YLQU1N3L.Jl E 1198374
156 0.03 0,43
157 0,15 2.09
112 0.01 1 1 8—01AMIt o #P3rHM E’.
114 0.00 0.03
141 0,00 0.55
149
-------
1,itern 1/External Stanc1 rd P 1le tor iod Class $ B
Cm ds Recovery o poUfld Name
Std I 2 StI 154 (ti .56 SId $57 Std $61
Mass 109 236 136 • 82 128 98 116 264
113 0.62 N1 0T1N 54115
84 1.17 0,90 0.22 1.35 ?.3 0.14 1.23
133 0.28 0.21 0,05 0.32. 0.49 0,17 0.19
114 0.82 APBA1DL 86748
161 3.73 2.88 0.69 4.30 6.66 2.37 3.92
115 0.82 2— M1 1l3B1PI4LN1L , 90415
168 6,79 5.11 1.20 7.65 12.18 4.61 6.67
169 12,7? 9.45 2.72 14.15 22.54 7.42 12.30
116 0.85 D1PIIENYLAM1N 122394
168 1.48 1.14 0.27 1.71 2.65 0.94 1.56
169 2.79 2.15 0.52 3.22 4.99 1.77 2.93
117 0.01 DICYLJHEXYLAMI 10)837
56 0,33 0.37 0.06 0.39 0.63 3.21 0.35
138 0.96 0.76 0.18 1.12 1.80 0.61 1.02
118 0.82 TpthU1YLA 1 ’E. 102829
100 0.42 0.33 0.08 0.49 0.15 0.27 0.44
142 1.53 1.18 0.28 1.77 2.14 0,97 1.61
119 0.86 C FFE1ft 58082
109 0.10 0.08 0.02 0.12 0.17 0.06 0.10
194 0,19 0.15 0.04 0.22 0,34 3.12 0.20
120 0.50 DIR N YLAM1’ 103491
91 1.62 1.26 0.30 1.78 2.87 1.16 1.94
197 0,13 0.11 0.03 0.15 0.21 0.10 Q.Ib
121 0.69 N .N.DI ETHYLD3 YLA ’1 E 112185
58 4,72 3.88 (,.87 5.41 8.83 3.58 5.99
59 0.17 0.13 0.03 0.20 0.30 3.13 0.2)
122 0.71 AT AZI I. 1912219
200 2.75 2.23 0.52 3.28 .23 1.72 2.86
215 1.67 1.34 0.31 2.00 3.18 1.05 1.74
123 0.66 EPrA JN (2) 110430
43 1.21 0.94 0.22 1.33 2.1 0.85 1.14
58 0.75 0,58 0.14 0.83 j,33 3,53 0,88
124 0.01 3UTUXY TIIA I3L 111762
41 0.21 0,11 0.04 3.25 0.40 0,13 0.22
57 0,55 0,42 3.10 0.63 1.33 3,35 0.58
125 0.77 2.ocrA (jNE 111137
43 1,30 1.01 0.24 1.43 2.31 3.91 1.53
58 1.02 0.79 0.19 1.11 1,dO 3.71 1.19
150
-------
Intern$1/Erterr a1 Stanclirci File for pd Class I 8
C odi Rec vety Compounci Nate
Std $62 Sti $63
Mass 188 99
I I ) 0.62 N1COTIN 54115
94 0.09 1.22
133 0.02 0,29
114 0.92 AR8AZOLIE 8614$
167 0.31 4.22
1*5 0,82 2AM1’ JB1PHENyL 90415
*68 0,51 7.45
169 0,95 13.80
1 15 0.85 DIPH I ! ..N1 [ ,AM INE 122394
168 0.11 1.55
169 0,22 2.9*
117 0.01 DICYCL0H XYL A I’ E 101837
56 0.03 0.38
138 0,08 1,09
118 0.82 rPlU’JrYt,AMPd 102829
p100 0.03 0.44
*42 0,12 1.59
119 0.86 CAFFEIME 58082
109 0.0* 0,10
194 0.02 0. 1
120 0.50 0I ENiYLAMJ ,I 103491
91 0.11 1.74
197 0,01 0.14
121 0.69 N,U—O1MLTHYLU3 21L,AM1 € 112185
58 0.34 5.31
59 0.01 0.19
122 0.71 ArPAZINE 1912249
200 0.22 3.26
215 0.13 1.95
123 0.66 IiEPTA NE(2) 110430
43 0.08 1.30
58 0,05 0.81
124 0,01 BUTOXYETHAN0L. 111762
41 0.02 0.22
57 0.04 0.57
125 0.77 2—0 TANW 111137
43 0.09 1.40
58 0.07 1.09
151
-------
Interni1/E*ter i1 Stand ri Ille tor p1 Class I 8
CmpdI Recovery o pound NaLe
Std I 2 StI $54 Std 156 Std $57 Std $61
Mass 109 236 136 2 128 98 $16 2b4 —
126 0.52 burYLPP0P1u Ar 593012
57 1.48 1.14 0.27 1.11 2,13 3.90 1.49
75 0.44 0.34 0,08 0.51 0.82 3.27 0.45
127 (i,85 1S0PH)KUN 18591
82 1.77 1.36 0.33 2.34 3.17 1.13 1.86
138 0.39 0.30 0.07 3 4S 0.72 3.25 0.41
128 0.64 FINCHDPJ 1195159
69 0,66 0.5$ 0.12 0.12 1.17 3,47 0.78
81 1.44 1.12 0.21 1.58 2.55 1.02 1.11
129 0.92 A pHA—TEKP1NE:)L.
59 0.56 0.43 0.10 0.bS 1.03 0.3b 0.59
136 0.32 0.25 0,06 0.31 0.’iB 3.21 0.34
130 0.94 N—DIZ 40L. 112301
41 0.40 0.31 0.07 0.46 0.74 3.25 0.42
43 0,44 0,31 0.08 3.51 0,79 3.28 0.46
131 0.91 DIM THyLAo1pAr 627930
59 0,56 0.45 0.10 0.64 1.33 3.41 0.69
114 0,44 0.35 0.08 0.49 0.79 3.32 0.54
13? 0,45 METHY(,SrEAPATE 11? 1b
74 3.42 2,65 O.b3 3.89 6.28 2.54 4.25
87 2.22 1.72 0.41 2.52 4.31 1.65 2.76
133 0.01 N—DE ANE 124185
43 1,47 1.11 0.26 1.61 2.66 3.88 1.46
57 1,42 1.08 0.25 1.64 2.61 3.85 1.41
134 0.44 —TP10 A?IF. b29535
43 2.18 1,64 0.34 2.48 3.95 1.30 2.1€
57 2.75 2,09 3,50 3.14 5.01 1.bb 2.77
135 0,42 N—TETR DLCAN b 9594
43 2.52 l .’)2 0,45 2.88 4.58 1.51 2.51
57 3.40 2.55 0,61 3.87 6.16 2.03 3.37
136 0.01 N.PE’AD CA E 692b92
57 2.78 2.14 0,52 3.22 4.99 1.77 2.94
71 1,73 1,33 0.32 2.01 3.11 1.10 1.83
137 0.45 N —hEX DE AN€ 544763
43 1.90 1.45 0.34 2.16 3.15 1.13 1.89
57 2.7? 2.0 0.49 3.11 4 .9 1.63 2.71
138 0.01 rJ—HE.PTADECANE 629781
57 3.13 2.41 (i .S8 3.61 5.59 1,99 3.30
71 2.07 1.63 Q•3P 2.39 3,13 1.32 2.1
152
-------
Intern 1/Externa1 stdn i,rd I lie tor ipd Class I 8
Cmpdl Recovery Coipound Na.e
St •62 Std 161
Mass 180 • 99
126 0.52 bUTYL.PR0P10 dAT 590012
57 0.12 1.66
75 0.04 0,50
127 0.85 IS OPHDR ObI 78591
82 0.14 1.80
138 0,03 0.41
128 0.64 FI NC4 NE 1195759
69 0.05 0.71
81 0.10 1.55
129 0.92 ALPHA—T KPINI L 98555
59 0.04 0.58
136 0,03 0.34
130 0.94 N.DLCANOL. 112301
41 0,03 0.41
43 0.03 0.46
131 0.91 DIMETHYLADIPArE 621930
59 0,04 0,62
114 0.03 0,48
132 0.45 METHYLSTI.ARAT€ 112618
74 0.24 3.83
87 0.16 2.48
133 0.31 N DECANE 124185
43 0.11 1.62
57 0.11 1.58
134 0,44 N—TR1OLCANE 629505
43 0.17 2.41
57 0,21 3.09
135 0.42 N—TETRADECANE 629594
43 0,19 2,80
51 0,26 3.17
136 0,01 N—PLNTADEC#NE 692692
57 0,22 2.92
71 0.14 1.82
137 0.45 N—HEX DECAN 5447b3
43 0.15 2.11
57 0.21 3.03
138 0.01 NH PT DUCA E 629187
57 0,24 3.21
71 0,16 2,17
153
-------
Interr% l/Exterrie1 St n iri File or pd C1a s I 8
CmDdo Recovery Co pour%d Name
Std I 2 Std 054 Std 156 Std $57 Std 061
109 236 136 — 82 128 98 116 264
139 0.01 Pd.UCTA OLCANI 59)453
57 2.99 2.51 0.59 3.75 5.98 1.88 3.14
71 1.98 1.66 3.39 2,48 3.95 1.25 2.38
140 0.47 N. 0P ADECAP F 629925
71 2.12 1.61 .0.38 2.42 3,35 1.27 7.11
85 1.42 1.0 0.25 1.61 1.57 0.85 1.41
141 0.08 N—EJC3SAN 11)2956
57 4.43 3.41 0.82 5.11 7.92 2.82 4.bb
71 3.03 2.33 0.56 3.5& 5.41 1.93 3.19
142 0.63 N.H P 1C0SA! E. 629947
57 3.93 2.9b 0.70 4.43 1,15 2.12 3.86
71 2.71 2.05 0.48 3.07 4.88 1.61 2.67
143 0.66 N.D0C3SAIJ 629970
57 3.73 2.98 0.70 4.46 7.10 2.33 3.88
71 2,60 2.08 0.49 3.11 4,95 1.63 2.70
144 0,66 N.TPI3SANE 638615
57 3.99 3.19 0.75 4.71 7.60 2.49 4.14
71 2,80 2.21 0.53 3.35 5.34 1.75 2.91
145 0.74 PHFP YLA ETATE 122792
94 1.84 1.43 0.34 2.01 3.25 1.30 2.18
136 0.25 0.23 0.05 0.28 0.45 3.18 0.30
146 0.79 BENZiL ACLTAT 140114
91 0.52 0,40 0.09 0.51 0.92 3.31 0.62
108 1.09 0.20 1.19 1.92 0.77 1.’9
147 0.36 ETHYI.BENZENESULFO ’ A1
77 1.24 0.94 0.22 1.41 2.25 3.74 1.23
172 0,44 0.31 0.08 0.5 0,93 3.2h 0,44
148 0.46 4ETIIYLTOL,UF:NESuL,F0 ATE
91 1.60 1.21 0.29 1,8) 2,89
155 0.72 0.54 0.13 0.81 1.29 3.42 0.71
149 0.74 0IMETHYLPHTIIALt T 13U 13
77 0.81 0.63 0.15 0.94 1.45 0.52 0.85
163 5.29 4.07 0.93 6.10 9.46 3.3b 5.Sb
150 0.53 ETHYLTOLUE IESULF AT .
91 1.14 1.32 0.31 1.7 3.14 1.03 1.72
155 1.18 0.94 0.22 1.40 2.23 3.13 1.21
151 0.87 O IETHYIJPHTHALDArE 84562
149 3.19 2.43 0,51 3.65 5,79 1.90 3.17
177 0,80 0.61 0.14 0.93 1.47 3.48 0.80
154
-------
1nternj1/ zternei Star 1aro File tor : pc2 Clasa I 8
629947
C di
Mal.s
Recovery
Std 162
188 •
Compound Name
St 163
99 —
139
57
71
0,01
0.24
0.06
N—OCTADECANC 59 453
3.65
2,41
140
71
85
0.47
0.16
0.11
N.N N DECAN . 629925
2.35
1,57
141
57
71
0.08
0,35
0.23
N •EIC3SANE 1112958
4.63
3.17
142
57
71
0.63
0.30
0.21
1 —HLNCIC0SA
4.31
2.99
143
57
71
0.66
0.30
0.21
N•DOCDSANE 629970
4,35
3.04
144
57
11
0.6(i
( ‘.32
0.22
N.TRIDSANI 638675
4.65
3.27
145
94
136
0.74
0.13
0.02
P’ftNYLIACETAIE 122192
1.98
3 ,2k:
146
91
108
0.79
0.04
0.07
Fj1.NZYI,ACETAT
3.56
1.17
147
77
172
0.36
0.09
0.03
METHYL8ENZFNI ULF0NAI
1.38
0.49
148
91
155
0.16
0.12
0.05
MTHYI.,10LUENEs’JLFu Ar :
1,76
0,79
149
71
163
0.74
0.06
0,41
D1TH [ .PH1HAI . 1E
0.
5.51
150
91
155
0.53
0.13
0.09
TNyLr0LueNcsut,F3 ’IATE
1.92
1.36
151
19
9”77
0 R1
0.24
0,06
D1CTH1LPHTH4L rE
3,54
0.89
143)14
131113
84662
155
-------
Internsl/(zterrlsL Stinher File for pd Class I 8
149 5.27
167 1.9k
.7I 9.23
0,37 2.11 3.52
AL.0 h1fl 100527
0.01 0.42 0.64
0.01 0.46 0.70
T0LUAL,C KYDE 579204
0.10 0.65 1.34
0.12 3.77 1 , 3
AC(TOPIICN OP4C 98862
0.15 0.96 1.53
0.23 1.41 2.25
SAL1C1LALDFHY0 3029
0 , 20 3.61 0.99
0.11 0.60 1.01
A’4ISALDEP4YDE 123115
0.25 1.53 2,4?
0.18 1.07 3,13
0,19 0,31
4.55 7.54
$ .48
2.40
11 7b 1 7
3.74
1.42
3.23 0.38
3.25 0,42
0.34 0.57
3.41 0.68
3.53 0.87
3,78 1.29
3,40 G.67
3.43 0,12
0.91 2.66
3.70 1.16
3,80 1.29
3.69 1.14
1.07 1.78
3.39 0.65
0.02 0.03
0,09 0.15
:o,pound Nite
StI i54
t3b
CspdI
Mass
152
57
149
153
91
149
$54
Recovery
Sti P 2
109 236
0.0$
0,29 0,23
7.17 5.52
0,64
2.09 2.62
1,37 2.b2
0.74
Sid 156 Std IS? Sid P61
82 128 98 116 264 •
D1suTpHTH I rI 84742
0,05 0.34 0.52
2.33 8,77 22.83
BUTYLB(NZYL.PHTPI&LAT
0.38 2.28 3.69
0.62 3.69 5.95
D I ETKYLpICX1I P,$TiIALATt.
0,96
1.48
4,01
5.26
2.37
4,07
1.54
,01
0,31
.88
0,44
0.52
.92
0.61
0 .Q4
.01
0.44
0,47
.96
1
0.41
0
0,36
0,4)
0
0.54
0.63
0
0.38
* .27
0
0.56
0.50
0
1,31
0,60
155
77
105
156
92
119
151
77
105
158
121
122
$59
$35
136
160
94
161
137
108
162
107
122
163
121
I 3b
164
65
139
3.76 1.21
0.55
1.07 0.84
0.63
1.21 0.93
1.01 0.82
0,95
0,87 0,67
0,91 0,70
0.88
1.19 1.36
0,(’7 0,56
“. ‘31
0,03 0.02
0.13 0.23
PHENOL. 10H 52
0.20 1.18 2.83
PESOL.(P) 306445
3.2 1,40 2.25
3.20 2,24 1.89
2.1—D1M THYL.PN3L 526750
3.16 1.00 1.51
0,17 3.05 1.64
ISOPP3PYLPr6IN)I.(D) 88699
0,32 1,34 3.25
3.12 0,75 1.29
O—NITRDPHE C)1 4 88755
0.00 0.03 0.35
0.02 0,14 0.23
0.51
3.58
0.95
0,96
156
-------
1nterr sL/1xterria1 Standard File for 12d Class I 8
Csodl Recovery ConPourid Ndie
St 162 Std Ib)
Miii 188 99
152 0.01 DIHUTYLPHTHAL.ATt 84742
57 0,01 0.33
149 0,55 7,47
153 0,64 bUT 8ZYLPM1N L.A1I
91 0.14 2.24
349 0.23 3.b2
154 0,74 1ETHrEXYLP 1rK LAT . 111817
349 O.3S 5.61
167 0.13 2.13
155 0.01 BFMZAL. EHYbE $00527
77 0.03 0.3w
105 0.03 0.42
156 0.88 10LUAL.0gHy) 529204
91 0.05 0.64
119 0 ,05 0.75
157 0.92 ET0PHEND dI 9b862
77 0.06 0.87
105 0.09 l .2R
158 0.01 SA( fCyLALI y € 9 02$
121 0.04 0.60
122 0,01 0 . S
159 0.96 AN ISAL, OFIIYVL 123115
135 0.09 i.Su
1 )6 0.04 1,05
160 0.55 PIiFN(JL 308952
94 0.07 1.15
161 0.63 P I S0L(P) 106445
107 0.10 1.31
108 0.09 I.Ib
162 0.95 2.3—D1MErHYLPHE 1, 526150
107 0.07 0.94
122 0.07 0.95
163 0.88 ISOPPDPiLPHEP,JL(D) 8 699
321 0.14 1.99
136 0.05 0.73
164 0.01 0 U!TKJPt .3j. 1SS
65 0.00 0.03
139 0.0$ 0,14
‘57
-------
1flternj1/ zter i Standard File tor D d Class I 8
Cmpdl Recovery onpound Name
Std , 2 Sti $54 - Std aSS Std 157 Std $61
109 236 136 — 82 128 98 uS 264
165 0.90 59507
107 0.93 0.71 0.11 1.Ob 1.68 0.55 0,92
142 1,02 0.71 0.18 1,16 1,84 3.b1 1,01
166 0.01 4—:Is I. ockF:soL.
107 0.8) 0.64 0.16 3.93 1.57 3.53 0.88
142 0,94 0.72 0.17 1.09 1,17 0.60 0.99
167 0.01 1—84P,IIHDL 93153
115 0.35 0.26 0.06 0.38 0.61 3.20 0.34
144 0.61 0,45 0,11 3.61 1.37 3 ,3 0,29
168 0.86 P —rLPr—BUTYLPHCN OL. 98544
107 0.56 0.43 0.10 0.55 1,3) 3...4 0.56
135 1,96 1.49 0.35 2.22 3,54 1,17 1.94
1b9 0.32 2.NtrRD:K soL 119335
77 0.26 0.20 0.05 0.30 (p.46 0 ,07 U.27
153 0,74 0.57 0.14 0.83 1.33 3.46 0.78
170 0,78 2,4.D1fl oe.topHrI3t, 320832
162 1.13 0.88 0.21 1.24 2.33 3.80 1.34
164 0.72 0.53 0.13 3,78 1.27 0.51 0.85
171 0.65 2,4,b —7PjCHLQp)pH J3L 88052
196 0.81 0.63 0.15 0.89 1.44 0,58 0.91
198 0.83 0 . 4 3,15 0.91 1.45 3.59 0.98
172 0.73 D1—T .Rr—buryL, —4. rHy1pHENoL 128370
205 2.53 1.97 0.47 2.78 4.49 1.81 3.03
220 0.67 0.52 0,12 0.73 1,18 3.48 0.80
173 0.00 PENTA:HL0P0PH N J 87965
264 0.29 0.12 0,05 0.34 0.54 3.19 0.31’
266 0.47 0.35 0.09 0.55 0,91 3.32 0.54
174 0.65 2—M .1H1 LNAp8THALENE 91576
141 2.03 1 .5w 0.38 2.23 3.50 1.44 2.42
142 2,51 1.95 0.46 2.76 4.45 1.79 2.99
175 0.76 AC NAp T N1 83329
153 1.26 0.98 0,23 1.38 2.22 0,89 1.49
154 3.40 2.64 0.63 3,13 6,02 2.41 4.04
116 0.78 B1PH 8 L 92524
154 2.28 1.78 0.42 2.51 4,34 1.63 2.72
177 0.78 5t 415
141 1,59 1,24 0.29 1.14 2.82 1.13 1.89
156 2.30 1.79 0.42 2.5? .07 1.63 2.73
153
-------
lnternsl/Exterr el Standar 1 File for Class $ $
CmDdl Recovery orpo nd Name
StrI 162 StI 163
Na13 188 — 99 —
165 0.90 4.CHR0—3—TH LIPHEN L 59 O7
107 0,07 1.0)
142 0,OR 1.23
166 0001 4•CHLDR0CR S0L
107 0,07 0.91
142 0.08 1.03
167 0.01 1—NAPHTHOL 90153
115 0.03 0.38
144 0.05 0.bb
168 0.86 P.TLHT.BUTYLPHEN)L 9 544
107 0.04 0.62
135 0,15 2.16
169 0.32 2 —N ITR OPESOL 119335
77 0.02 0.27
153 0,06 0,78
170 0.78 2.4—L 1HL0k3PHE dDL 120832
162 0.08 1.22
164 0.05 0,77
171 0.66 2.4,6—TRICIILORDP4E.NDL 88062
196 0.05 0,88
198 0.06 0.89
172 0173 01— T i Pr — S UT L —4— THY 1. PH . 01. 128310
205 0.11 2.73
220 0.05 0.72
173 0.00 P NTAHL0R0PHE 4 LI 87865
264 0.07 0.31
266 0.04 0.50
174 0.65 2—M .THYLNAPHTH LENE 91576
141 0.11 2.19
142 0.17 2.71
175 0.76 AENAPHTH N 83329
153 0.0 1.35
154 0,23 3.66
176 0.78 BIPHENY1. 92524
154 0.16 2.46
171 0.78 l.8 —D1MEIHYLNAPHTHAI,ENë b9415
141 0.11 1.71
156 0.16 2.4H
159
-------
Iflterri/ Kterr a1 Stand id file tar lPd Class I 8
Cl Dd l Reeovery
Std I 2
Mass 109 236
DmPour d Pdete
Sti 154
136 —
Std $56
82 128
St $57 Std $61
98 316 264
165
166
0,88
2.74 2.13
3,07 2.38
FL U0k .NE 86737
0.49 3,01 4.85 1.95 3.21
0,57 3.44 5.55 2.23 3.74
179
155
170
0.84
1,86 1.44
2.56 1,99
2.3,s.rR1MErHYL ApHrHA ,p 2745387
0.34 2.04 3.36 3.36 2.27
0,4, 2.86 4,62 1,8b 3,11
180
178
0.78
3.21 2.47
ANTHR&: NE . 120127
0,60 3.71 5.74 2.’ 4 3.29
181
202
0.73
4.84 3.75
12,0’. 3
0.45 5.66 8.73 3.21 5,18
182
191
206
0.60
1,33 1,03
2.85 2.22
9.10.D1METHYLA TH1 A:E E 781431
0,45 1.4’, 2.35 0,94 1.51
0.53 3.33 5.04 2,0) 3.31
183
228
0,43
2.21 1.73
218019
0.41 2.42 3,92 1,59 2,66
184
252
0.67
1.60 1.23
P PYL 1ft. 198660
0.30 1.84 2.86 1.02 1.68
185
41
54
0.71
0,66 0.5)
0,29 0,23
D1 YA J U1AN 311693
0.12 3.12 1,17 3.47 0,79
0,05 0,32 0,52 2.10 0.35
186
41
59
0.40
0.48 0.36
0.24 0.26
BUTYLAPBAh AT 14994175
0,08 0.54 0.86 3,28 0.41
0.05 0.29 0,41 3,15 0,25
187
41
57
0.58
0,73 0.55
3.09 2.36
DIBUTYLDISULFIDE 110065
0,13 0,84 1.34 0,44 0.73
0.56 3.54 5.64 1.85 3.09
188
63
93
0.92
3.71 1.31
0.84 0.65
b1S(2—L0P0 THyL)ETHA 112265
0.31 1.97 3.13 1,03 1.71
0.15 0.91 1,54 3.51 (p.84
189
99
155
0,86
4.03 3.13
0,88 0.68
TRIBUTYLPHOSPH4TE 126738
0.75 4.65 7.20 2.56 4.24
0,16 1.01 1.51 0.Sb 0.92
190
66
263
0.83
1.33 1.0)
0.60 0.46
AbDPi’ 309002
0.24 1.49 2.40 3.91 1.62
0,11 0 , 7 1.08 3,44 0.73
191
91
120
0.01
0,68 0,52
0.97 0,75
D1HYDRJBFP Z0FukA’J 496162
0,13 3.79 1.25 3.43 0.72
0,18 1.J2 1.67
160
-------
Internil/Cxterr*il Sta d d file for ‘pd Class P 8
Ct odI Recovery Compound Na, e
StI 16? Sti $bJ
Mass 188 — 99
178 0,88 F U0 86737
165 0.19 2.9b
166 0.21 3.38
$79 0.84 2.3,5—TR1’ LTHYL,NAPHTH L E I. 2?4b387
155 0.13 2.05
170 0.18 2,81
180 0.18 4NTHP ENE 120121
178 0.25 3.35
$81 0.73 PYP N 129000
202 0 .4(1 5 ,36
1 2 0.60 9,10—01METH1L.ANYHI4ACE’ C 781431
191 0.09 1.42
206 0.19 3,06
183 0.43 HRYSENL 218019
228 0.15 2.39
184 0.62 P PYLEPdI 198550
252 0.12 1.65
185 0.71 D1ZYA’40BUTA I 111693
41 0.05 0.71
54 0.02 0.32
186 0.40 BIJTYLARBA ATC 994775
41 0.04 0.52
59 0,02 0.28
187 0.58 DIt$tJIYL.DISULFIDE $10065
41 0.06 0.dl
57 0 ,24 3.42
188 0.92 s(2—:HLok Er9 L) rt4 4 E 112Th5
63 0.13 1.91
93 0 ,flb 0.94
189 0. 6 TN1BU YLPHQSPHAtE 12h738
99 0,31 4.19
155 0.07 0,91
190 0.R3 ALDR IN 309002
66 0,09 1.46
263 0.04 0.66
191 0,01 DIiI D 0BFP.ZQ UR h 496*b?
91 0.05 0.71
120 0.07 0.98
161
-------
Iriterrii l/Eztern11 Standlrd File tor spd Cie I B
C.o1I Re 0VI1y Coipound t a e
Std u 2 Sti 154 Std 156 Std 157 Std 161
109 236 136 82 12K 98 116 264
192 0.70 N1TK08*Wl N 98953
77 0,86 0,67 0,16 0.94 1.51 0.61 1,02
123 0.54 0.42 0.10 0.59 0.?5 0 , 8 0.64
19) 0,85 BLNZOTIIAZ0I.E. 95*69
135 1.56 1.21 0.29 1.71 2.76 1.11 1.86
l 4 0.01 PHE 1YLAKI3AUA1C 102090
94 1,25 0.96 0.23 1.44 2.?) 3.79 1.31
137 0.02 0.01 0.00 0.02 0.03 0.01 0 ,32
195 0.89 2.4 01M1TP0T3LUEWt 121142
89 0.35 0,28 0,06 3.40 0.bS 0,26 0.44
lbS 0,71 0.53 0.13 3.15 1.21 3.46 0.16
196 0,67 8€NZYL.SULI IDE 53B74
91 3.55 2.68 0.63 4,00 6.38 2.10 3.49
*23 0.90 0.68 0,16 1.02 1.62 0.53 0.89
197 0.69 D1PHE IIIJSIJLSI0NE *27639
125 3.82 3.44 0.81 5.16 8.2) 2.11 4.51
218 0.92 0.13 0.17 1.10 1.75 0.58 0,96
198 0.81 TR IPHFNYLPH OSPHATE 1*5866
325 2,59 2.01 0.13 0.79 1.28 0.52 0.87
326 0.09 0.07 0.17 1.03 1.67 0.bH 1.14
199 0.01 DIPH I MLPU Y 587859
77 0.72 0.56 0.48 2.85 4.59 1.96 3.28
356 0.95 0.71 0.02 0.09 0.15 0.06 0.11
200 0.47 TFTkAPI1LN Lr1
Ill 1,40 1.13 0.27 1.70 2,71 0.89 1.47
351 1.30 1.05 ,,25 1.58 0.82 1.37
201 0.35 B NZYI .HL.0I 1D 130447
91 1.55 1.18 0.28 1.71 2.82 0.93 1.54
126 0.42 0.32 0,08 0.48 0,75 3.25 0.42
202 0.80 4.CHL3P0RENZrJ 1TPLl.I. 623030
102 0.55 0.42 0.10 0.63 0. 3.33 0.55
131 2.10 1.57 0.36 2.38 3•73 2.08
203 0.01 3.HL.)R08EtJZ LDEHY [ )E 581042
111 0.06 0.05 0.01 3.08 0.12 0.04 0.07
139 0.12 ).10 0.02 0.15 O.2 3,08 o .13
204 0,57 0. HL .)R0AN1SLfl.E 766518
127 0.60 0,4b 0.11 0,69 1.0 3.3i 0.60
142 1,31 1.03 0.24 0 . i0 2.40 3.79 1.31
162
-------
Intern 1/ terriaL Stanlard F 1e for 52d Class I 8
C PdP Recovery Co,ipour d Name
Std 162 Sti 163
Mass 188 • 99 —
192 0.70 NIt HePd?.t.N 98953
77 0.06 0.94
123 0,04 0.59
193 0.85 8FNl0rIHAZUL F 951b9
135 0.01 1.68
194 0.01 P1IY1 ARBA AT 102090
94 0,10 1.30
137 0,00 0.02
195 0.89 - 2,4—DIN1TRDT0i UEt4E 121142
89 0.03 0.39
165 0.05 0.14
196 0,67 BENZYI..SULFID 536749
91 0.27 3,Q0
123 0,07 0,9s
197 0,69 DIP I NYLSUt.F0N 12763
125 0.35 5.05
218 0,07 1.01
198 0.81 tP1PHf 4YLPH0SPHArF. 115966
325 0.18 0.78
326 0.01 1.02
199 0.31 DIPHE dYLM1PCU 1
77 0.05 2.94
356 0,06 0.10
200 0.47 TETRAPHLNY I TIN
191 0.11 1.56
351 0.11 1.54
201 0.35 ESE ’ZYL.HL0PIOE 100447
91 0,12 1.71
126 0.03 0.41
202 O.aO 4—HL3PUbENZONITPILI 623033
102 0.04
137 0.16 2.32
203 0.01 587042
Iii 0.00 0,09
139 0,01 0.15
204 0.57 3 HLJR0ANISOL€ 166518
121 0.05 0.67
142 0.10 1.46
163
-------
Interni1/Ixr,r 1 Stan r1 File (Or :. od 1ass $ 8
kecovtry Co pound N me
Std I 2 Sti $54 Std $56 Std •57 Std $61
M8SS 109 236 13b — $2 128 9N 116 2t4
205 0.01 CRJB NZAM13 . 619567
139 0.70 0.55 0,13 0.77 1.25 ,.50 0, 4
155 0,38 0,33 0.07 3.4 0,69 ),27 0,46
206 1.00 3.4.DJHLORE ZAL oEHy3 S287393
173 0.48 0.39 0,09 0.5$ 0.93 3.3! 0.57
174 0.32 0,26 0.06 0.39 0,62 ).21 0.34
707 0.71 l.2,4—rHzcHLorSZENI 12)821
145 0.34 0.26 0.Ob 0.40 0,o3 3.22 0.36
180 1.30 1.0) 3,24 ).5 .4 ) 3.83 1.37
208 0 • 56 2 • BR 0 3—1—C H L 3RD . , Z 694 04
190 0,79 0,61 0,14 0.85 1.39 0.55 0.92
192 1.04 0. 141 0,19 1.14 1.84 0.74 1,24
209 0.87 l.2—0I 1LlJPJNAPHTH LENE 2053693
161 0.44 0,31 0.08 0.50 0.18 3.28 0,46
196 2.17 1,67 0.40 2.51 i.ae 1.38 7.29
210 0,77 1.2,4,5—TITHA35 .NZE14 . 95943
I4 1.18 0.93 0.22 1.29 2.39 0.84 1.40
116 1.54 1.18 0,2w 1.b9 2,72 1.09 1,63
211 0.65 P—D1 R3’4ObE .ZE E l0b376
234 0.68 0.52 0.32 0.17 .23 0.41 0.6?
23b 1.29 1,03 3.23 1.4$ 7.35 3.79 1.30
212 0.93 4—BR0’4301PHEP.YI E1HVP 6452499
248 1.38 0.81 3.20 1.19 1. 2 3.77 1.29
250 1.13 0,88 0,21 1,26 2.04 3.92 1.37
213 0.64 HEXA HL0P0f3EN1€NE 118741
284 0,74 0.56 0.13 0.84 1.34 3.44 0.73
286 0,60 0.46 0.11 0, R 1.38 3,36 0,59
164
-------
1nterne1/ zterna1 Standard rile tor Ipd Clai I 8
CmDdI Peeovery Co pourid Name
Std $62 Std 163
Masi 188 • 99
205 0.01 CHL,OROBENZAM IDE 619561
139 0.05 0,76
155 0,01 0.41
206 1.00 3,4 DIHLDR3hE’ ZALDEHy3E 6287383
173 0.04 0,57
174 0.03 0,38
207 0,71 1,2,4•rP1C LuRJBENzENE 123821
145 0.03 0.36
180 0.10 1,36
708 0.56 2•BR0—1-CHL.DR BENZEN 694 04
190 3.05 0,84
192 0,07 1.12
209 0.87 1.2•u1:HLo oN pHrHALEN . 2050693
161 0,03 0.46
196 0.17 7.27
210 0.77 1,2,4,5—TLTRALDPOB€ Zfr E 95943
21’ 0 .0k 1.27
216 0.11 1,bb
211 0.65 P—D1BR MO. 4ZC 10b37b
234 0.05 0.75
236 0.10 1.45
212 0.93 4—BR0 3D1PHENyLLrIlEp 6452499
248 0.07 1.11
250 0,08 1 .24
213 0,64 H XACHL.OP0bF.NT1EN€ 119741
284 0.06 0.82
286 0.05 0,b6
165
-------
TabJe B-9. Jt’lRs AND RECOVERIES FOR ESSA COMPOUNDS
Clasa No. 9
Standard
ID No.
Standard Name
2
4-Fluoro-2-iodot iluene (external)
3
2-F1uorobipheny (external)
64
.
d 13 -Heptanoic acid ( nternaI)
65
dçBenzoic a’:id (internal)
166
-------
____________ Vt IRIX (W SIAN I(N IUIRs
— a . a a wn = a—c. eat ,.. .. a — . - a a . S . a S I S — t • . St S S S —
tansIar I
d 1 3 —Ileptanozc
4 -F luoro-2— acid d 5 -Benzoic acid
ioilutolurne 2-Fluorobiphenyl methyl ester methyl ester
Standard Ion Recovery rn/z 109 rn/z 216 rn/z 172 rn/z 77 rn/z 91 /z 82 rn/z 110
4 -fluoro-2-jodotoluene 109 - .78 .29 .99 3.47 1.73 .87
2J6 NA 1.28 — .37 1.27 4.46 2.21 1.12
2 -uluorobiphenyl 112 NA 3.44 2.68 — 3.42 11.96 5.94 3.00
d 13 -tieptanoic acid 77 0.65 1.01 .79 .30 - 3.47 1.74 .88
methyl ester 91 O.bS .29 .23 .084 .29 - .50 .25
d 5 -benzoic acid R2 0.92 .5R .65 .17 .58 2.00 — .51
methyl ester 110 0.92 1.15 .90 .34 1.14 3.97 1.98
— — w__ — raw—re warre-fl-n eras -es-a a Cr anna a e ew 30 — .. a ..t re-en a S -. . — —. S —
-------
Internil/Exterrisi Sten rd FIle (or Class 1 9
CmpdI Recovery :ompojn Name
StI 1 2 StI s 3 StI 564 Std 165
Mass 109 236 172 • 77 91 82 1)0
10) 0.79 CHL0AC T1 791I
59 0.46 0.17 3,5w 1,86 .0I 0.51
71 0.24 0.19 0.07 3.24 0,76 3.41 0.21
102 0.82 VAIRI 109524
74 0.58 0.45 0,17 0.58 1.d4 1.00 0.51
07 0.18 0.14 0.06 0.18 0.59 0,32 0.16
103 0.01 4 kCAPruP 8up1o iI:
61 0.24 0.18 0.01 0.23 0.81 0.41 0.21
120 0,14 0.11 0.04 0.14 0.49 3.25 0.13
104 0.01 MALONI 141822
59 0.63 0.49 0.18 0.63 2.33 1.10 0,55
101 0.47 0.37 0.14 0.47 1.51 0.82 0,43
105 0.01 SUCC1 V 110156
55 0,42 0.33 0.12 3.41 1.44 0.12 0.36
115 0,84 0,65 0.24 0.83 2.88 1,44 0.13
106 0,92 ui 2oi 65850
77 0,14 0,58 0.22 0.74 2.58 1.28 0.65
105 1.43 1.11 0.42 1.41 4.94 2.45 1.24
107 0.13 o1:Hf,)KoAcE.rL 79436
C 9 0,82 0.64 0,24 0.82 0.39 1.42 0.72
83 0.32 0.25 0.09 0.32 0,2) 3 ,Sb 0.28
108 0.91 PT01UIC 99945
119 1,84 1.43 0.53 1.82 6,35 3.17 1.60
150 0,66 0,51 0.19 0.66 2.23 1,14 0.58
109 0.85 8p3M0A Er)c 19083
59 0,12 0.09 0.24 0.12 0.39 3.21 0.10
93 0,07 0,05 0.09 0.07 0.23 3.12 0.06
110 0.82 N—0CT& OtC 124012
74 1,61 1.26 0.47 1.60 5.56 2.78 1.40
81 0.6% 0,48 0,18 0.61 2.12 1,06 0,53
111 0.90 0—MET 3YB zJ1 519159
71 0.41 0.36 0.14 0.4e 1,61 0,80 0.41
135 1,06 0.81 0.31 1.05 3.65 1.82 0.92
11? 0.88 2—NITR J—P—CRE5DL 119335
91 0,40 0,31 0.32 0.40 1.38 3.69 0.35
167 0.42 0.33 0,12 0.4) 1.44 0.72 0.36
113 0,9) 0—HL RUP Z9]Z 118912
139 1.43 1.11 0,41 1.41 4.94 2.46 1.24
170 0,42 0.33 0.12 0.41 1.45 3.12 0.36
I6
-------
Intern 1/Externa1 Standard I1l for : p 4 C ss a 9
CmodI Recovery Coe’ o nd Nare
Std 4 2
Ma’i 209 236
St i I 3
172 —
St 464
17 91
Std lb S
82 120
N— 0NaP4O1C 112050
0.50 1.12 98
0,22 0.74 2.58
2,4—D1HL0P PHT’ DL 32083?
0.22 0.77 2.67
3.26 3,89 3.13
TP1CHRUAC T1 76039
0.03 0.32 0.39
P IT#WftNl01C(P) 62237
0.00 0.00 0.32
0,03 0.12 0.39
NAPHTH3RC—2 93394
0.23 0.78 2.10
0.31 1.05 3.64
N—DFCANOIC 314485
0.56 1.91 b.72
0.26 0.90 3.16
2,4 —D1N1TR0PH ’ .3L 5l 5
0.03 3.09 0.31
0,04 0.13 0,41
3,4—D1HLOR0BF ZD1C 51
0.04 0.15 0.51
0,01 0.04 0.14
2, 3.6-UUCHL0R)PH NJL
0.12 3.41 1.4b
0.20 0.68 2.19
LAUPI: 143007
0.65 2.23 7.14
0.35 1.20 4.11
2. 4—01HLflPOPhE .3XYAET1
0.14 3.4b 1.53
0.20 0.67 2.33
4YRISTIC 544638
0.91 3.10 10.83
0.54 1.85 6.45
2.99 1.51
1.29 O.6S
1.33 0,67
1.54 0.78
3.21 0.11
3.02 0.0
3.20 0.10
1.35 0.b
3.81 0.92
3.32 1.68
1.56 0.19
0.16
3.22
445
3.25
0,01
933155
3.72
1.11
3.97 1.95
..0H 1.05
94757
3.80 0.41
1.16 0.59
5.3P 2.72
3.21 1.62
93765
0 • 4b
I •l
‘J.t
114
74
87
115
161
176
116
111
117
150
381
118
127
155
1119
4
87
120
168
198
123
173
204
122
I 69
212
123
74
87
124
175
199
125
74
87
126
3 3
70
0,85
1.73 1.35
0.75 0.58
0.88
0.77 0.63
0.90 0,10
0,80
0,32 0.09
0.88
0.00 0.00
0.12 0,09
0.94
0,78 0.61
1,05 0,82
0.87
1,92 2.50
0.93 0.71
0.01
0.09 0.07
0.13 0.13
0.02
0.15 0.11
0.04 0,03
0.93
0.42 0.32
0,68 0.53
1.06
2.23 1.69
1.21 0.92
1.10
0.47 0.35
0,67 0.52
0.90
3.12 2.43
1. 6 1.45
0.99
0.53 0.42
0.23 0.38
0.08
0.11
0.13
0.04
0.3h
0.59
2 .4,5—IR ICHL OK3PHJHAZE.II
0.36 0.53 I. 5 0.92
0,07 0.23 0.79 3.39
169
-------
1ntern 1/ xternsL Standird File or : pd C16s5 • 9
CmDdI aeeovery oIpour d Name
Std I 2 St3 I .1 Std .64 Std lbS
ais $09 236 172 • 77 I 92 110
127 0.89 PALMITIC b710)
14 2.86 7.23 0.83 2.85 9.âS 4.93 2.49
87 1.78 1.39 0,52 1,77 6.1 1 3.07 1.55
128 1.00 PINTA0k0PI4t L. 87965
265 0.50 0.39 0.14 0.49 1.71 0.85 0,43
280 0.41 0,37 0,14 0.47 1.68 3.81 ‘,41
129 0.61 0I EI $12801
55 0.45 0.3S 0.14 3.47 1.52 3.N1 0,41
69 0,11 0, 4 0.09 0.32 1.04 ). 6 0,29
170
-------
Table 8-10. RflR% AND RECOVERIES FOR VOSA COMPOUNDS
Clais No. 10
Standard ID No.
Standard
Name
3
2-F1uorob phenyl
(external)
67
d 7 —Eutyrlc acid
(internal)
171
-------
P1M R1X OF STA.’JDARD ION RflRs
2F1uorob pheny)
d 7 -Butyric Acid
Senzy l Ester
.13
.39 3.06
Standard
d 7 -Butyric Acid
2 -Fluorobiphenyl Beazyl Ester
Coepound Ion Rrcovery rn/z 172 /z 50 rn/z 109
172 NA
so
109
1.00
1 .00
8.10 2.63
.33
1 72
-------
Lnterna1/ xterni1 Stdn1 rd File for Tipd C1a35 110
Cmods Recovery Cotpour d Name
Std I 3 Sti $67
MaSs 172 — 50 109
100 0.74 2 —T YLCYCL0PR PA AR DAiL1 ACID
83 0,38 2.94 0,95
190 0.07 0.56 0.18
101 0.78 2•MET 1YLBLJTCPJ0I: ACID
83 0.28 2.1$ 0.71
190 0.03 0.21 0,07
102 0.72 DIwET$y1AC8 L,I ACID 541479
83 0.54 4.14 1.34
190 0,04 0,28 0.09
103 0.74 2 —MtnhTLBuTyHI: ACID 623427
108 0.17 1.28 0.42
192 0,11 0.84 0.27
104 0.88 ISOVALERIC ACI3 b03142
108 0.28 2.18 0.71
192 0.07 3.50 0.16
105 0.61 2—H XEN0IC AC iD
97 0,36 2.80 0.91
204 0.02 0.14 0.05
106 0.61 3—HEXENOIC 413
144 0.08 0,64 0,21
204 0.01 0.00 0,02
107 0.47 CYCL.OP NTYLACEr1 ACiD
108 0.29 2.26 0.73
218 0.02 0.20 0.07
108 0.01 ACF.TI ACID 64197
108 0.28 2.24 0.73
150 0.08 3.67 0.22
109 0.90 ACRYLiC ACID 79107
55 0,08 0.06 0.21
102 0.04 0.28 0.09
110 0.01 PRUPI3 4IC ACID 79094
108 0.30 2,36 0,17
104 0.09 3.73 0.24
111 0.57 MEIHACRYLIC ACID 79414
91 0,28 2.25 0.73
131 0.17 1.33 0.44
I I ? 0,77 CR3T0’ IC ACID 3724650
69 0,36 2,81 0.93
91 0.24 1.89 0.bt
173
-------
1nterna1/Exterfl 1 Standerd File tot : pd C1a55 110
CmDd$ Pecovery Co,pojnd Name
St I 3 St 167
Mass 172 — 50 109
113 0,57 N.BUT 1C ACID 107926
108 0,31 2.93 0,9b
178 1.09 0.70
114 0.42 IsoBunRic AI 19312
91 0.44 1.49 1.13
178 0.30 0,80 O.2b
115 0.75 N—P NrANUIC ACID 109524
57 0,11 0.84 0.27
91 0.39 - 3.09 1.01
0.60 W.HEX h0tC AC!) 142621
43 0,12 0,96 0,31
91 0.48 3,79 1.23
117 0.57 2• TH LbU1R1C IIIU $8095
71 0.15 1.19 0.39
91 0.33 2.65 0.36
118 0.48 N.H PTANDlC I1) 111148
43 0.15 1.21 0.39
91 0.51 4.02 1.3%
119 0.46 N—0CT# OlC AC Ir 124012
91 0,66 5.22 1.70
105 0.36 2,93 0.92
120 0,01 P1—NcJNANOIC ACID 112050
93 0,46 1,64 1,19
92 0.11 1.09 0,36
121 0.32 CY t.UNEXANE CARBJXYLIC AIL) 9889
55 0,20 1.62 0.53
91 0.46 1,61 3,19
122 0.37 CYCLD EXY1J AC 11Z ACiD 5292217
81 0.40 3,11 1.03
91 0, .9 5.50 1.79
174
-------
Table B- il. R !R5 A D RECOVERIES FOR NOVA CO 1POU DS
Cl s No. 11
Standard 13 NO.
Standard Name
4 -Fluoro-2-jodotelue,ie (rztrrnal)
3
2-FluorobLphenyl (external)
66
d 7 -Naphtha1t ne sulfonit aid (anttrnal)
175
-------
t (Lists lied.- J de&ec 1 i$.qècett
.7 I Iroiihi S tsyI l .la aid daecthyi nit?
‘! 1 . 79
M M RI’( ( ii S IANI).\flI) ION R’1Rs
17 iapkil.alrne-
s ul.—fl_ ..-,4
a. ih 7 S r.t. I
Cce .paatw i ice Ue u.c-ty S IC Ill !‘! ::-,
acid ill I s ’ . s 7 I 1 %
eel hrt tiler I s o - . 5L
2-f luorobsjterip l $7.7 ‘1 % 4 Lb P b2
4 - (IuorG-2 -Ia lotoiun . ot t s is 2 .71 .2 9
flb I b I 2 em 3$
-J
C ’
SI IS . 5 . 5
57 3 ? .11
1 4% 1 4 7 •9,
.7 ,
Ii , • .1 7
-------
1r terna1/Extern L Stendard 11 £01 pd Class all
C$od* Pe overy o pojr 1 afie
Stil a 2 StI 1 3 Std 166
Mass 109 236 172 134 229
100 0.01 TH10G1 C3L1 b 11$
91 0 ,OR 0.06 0.u2 0.11 0.23
105 0,39 0.30 0,12 0.53 0.91
*01 0.28 SUCINIC 110156
55 0.21 0.17 0.Ob 0.29 0.49
115 0.4? 0,32 0.12 0,Sb 0.96
107 1.10 BZI 5U1JONi 98113
17 0.98 0.76 0.29 1.25 2.13
172 ).34 0.27 0.10 0.41 0.78
*Oi 0.68 ‘4— 1TP FNZ31 121926
104 0.07 0.05 0.02 0.09 0.16
250 0.25 0.20 0.01 0.34 0,58
*04 1.40 BENZ EPHOSPH L 1119482
91 0,46 0.36 0.13 3.59 1.01
185 0,45 0,35 0,13 0,51 0.98
105 0.72 P.TOLUENESULF)?U ‘04154
91 1.16 0.91 0.34 1.48 2.52
186 0,18 0,31 0,14 0.60 3.33
*06 0.55 TR PI TH .LK 100230
163 1,85 1.44 0.54 •37 4,34
194 0.44 0.34 0.13 0.56 0.96
107 0.42 3,4—fl1HLO} 3Btfl.)1 5*445
173 0.69 0.54 0.20 0.92 1.56
204 0,23 0.16 0.06 0.26 0.45
108 0.92 P CHL3P0BLkZF ’ SUU .3N1
1*1 0,59 0.46 0.11 0.15 1.28
206 0.24 0.19 0.01 0.31 0.52
109 1.10 2.NAP T 1A.H SLJLFON1 320183
127 0.87 0.68 0.2 1.0 1.82
222 0.52 0.40 0.15 0.b4 1.08
110 0.61 2.4,5—rR1C’.L0R3PH .N0XYE ’1 937
233 0,46 0.36 0.13 0.5 14 1.30
270 0.20 0.15 0.06 0.25 u,43
I i i 0.62 P€ TAR0Pi1 4 L 87865
215 0.50 0.39 0.14 0.01 0,31
280 0.47 0.31 0.14 0.01 0.31
112 0,01 OLEI 112801
55 0_35 0,21 0.10 0,45 0.lb
69 0.24 0.19 0.07 0.31 0. 4
177
-------
Table 0-12. R.MRs AND RECOVERIES FOR SAN-PT COnFOUNDS
Class No. 12
Standard ID No.
Standard Name
2
4-Flunro-2-iodotoluene (external)
3
2-Fluorobiphenyl (external)
68
d 9 -Butylamine ( nternat)
178
-------
t tWI U3 ‘ I. Ml%HI’ 1DM Il Ut’
St anda,J
4 *uo,o--
2.Ituo.nb.rI,.nvl d . utylasia
Compound I .n Rccovrry 109 23 I? 210 2 12
4-Iluoro-2-todot&.Iurne 1 0 9 . 0 4 16 10 61
7)f I .V l S 32 I) 68
2-fluorobiphety l Ifl 3 31 2.SS *3.1 )S.3
d 0 -8uty ..*ne nu 0 7 .24 .19 .073 — 2.S8
212 0 .094 .073 0 1$ .39 -
-------
lnternal/Exterrtal Stan i3rc1 ILL, tot bpa Class i12
Coodi
Mass
Recovery
Std I 2
109 236
o pound Name
St I 3 Std i6
172 — 210 212
100
41
207
0.75
0.09 0.07
0.04 0.03
AI LYL AMINI. 107119
0.03 3.37 0.95
0.01 0.15 0.39
101
190
208
0.75
0.08 0.06
0.20 0.16
N. UTYLAMlNI 109739
0.03 0.83 2.15
0.06 0.84 4.11
102
20B
209
0.76
0,38 0.30
0.11 0.09
ISOBUTYLAMIME 1 .819
0.12 1.60 4.11
0.03 0.47 1.21
103
222
236
0.77
0.28 0.22
0.05 0.04
SEC. I UTYLAMINE 139 284b
0.09 1.16 2.99
0.01 0.20 0.52
104
57
236
0.75
0.48 0.38
0.30 0.23
r—BUTYL .AM1NE 15649
0,15 2.01 5.18
0,09 1,25 3.22
105
208
250
0.74
0.19 0.15
0.22 0.11
4.HEXYL,AMINE 111262
0.06 0.80 2.37
0.07 0.92 2,36
106
55
194
0.74
0,17 0.13
0,10 0.09
YCLOr4E YLA’4Pl€ 108 18
0.05 3.69 1.78
0.03 3,44 1.12
107
208
278
0.75
0.2) 0.19
0.20 0.15
2—ETHYLHFXYL.AM1 E 104756
0.07 0,97 2,49
0 .Ob 0.82 2.11
108
91
92
0.75
0.33 0.26
0,08 0.06
BENZYt,AMINE 100469
0.10 1.36 3.49
0.02 - 0,32 0.82
109
208
223
0.73
0,05 0.04
0.04 0.04
ETHYL 4E D1AM1 E 101153
0,02 0.22 0.57
0.01 0.19 0.4R
110
100
142
0.75
0,48 0.39
1.71 1.31
TR18UTY!JAI41 E 102892
0.15 2.02 5.18
0.52 6.98 17.91
180
-------
Table B-13. R.’O s AND RECOVERIES FOR SAn-S COMPOUNDS
Class No. 13
Standard ID No.
Standard Name
2
4-Fluoro-2-iodotoluene
3
2-Fluorobiphenyl
70
N-Ethyl-2-fluorobenzylamine
181
-------
MA1IUX OP SfA 1)\flh) 1O 4 i (i t s
i i
6-) Iu.,ro-2-IoIc,tulurnr 2-FIuuruI ,I.I,rnyI
lun •/j 109 rn /i 2 t . Ii )? .
i-tIfr I-2 .I IUO!ObfIIlytaUufl.
.1, 10) ./z 3 1R
F1uofC- -IoJnLr Iur,,e
Z-Ftucrobsp 1 en I
N-Lthy1-2-F1uorobrnzy) rnine
t09 NA
23b NA
112 NA
109 1.U1I
1R I oi
I 34 (I)
I 21 (‘3)
1. 00 (I)
0 1! (I)
o 71 (*F’ I 2 ) 0 ii U.)
— I) 2(. I!) c i I? Ib)
0 i (B)
2.6) (B)
3_I l (1)
0 bO U’)
0 20 (101
1 Cocfuicccnt of variation for trip1 c:itc Jetermin:itionc are gIvt n ill Ti.sr ’flht%CGI6.
0 32 (0)
0 42 (1)
I I ) (26)
I S2 (2))
3 S7 (26)
4 ‘ii (27)
-------
1flterr j1/Externa1 Standard Ille tor “pd C1a s $13
Cmpdo
Maii
Recovery
Std I 2
*09 236
Compound Name
Std I 3 Std $70
172 *09 318
100
181
250
0.82
1.73 1.83
0.68 0.57
DJ YL.AM1N 124027
0.75 0.60 2,70
0.24 0.19 0,80
101
181
252
0.64
2.02 1.51
1,80 1.47
DIPR0P1I AM1r 142841
0,56 0.57 2.44
0.60 0,48 2.09
102
181
264
0.45
1,66 1.32
1,13 0.9)
PEP€RIQINE. 1)0894
0.5’ 0.44 1.93
0.37 0.30 1,31
103
181
267
0.15
2.45 1.94
0,42 0.34
0PPI13LIP E 110918
0.79 0.65 2.82
0,14 0.11 0.49
104
181
264
0.45
2.68 2.13
2.98 2.28
M TrIYLP1PER1D1ft.(2) 626675
0.88 0.11 3.09
0.93 0.76 3.08
105
‘181
195
0.45
0.42 0.31
0,15 0.12
Dt8uT1 L.M1u 111922
0.12 0.10 0.98
0.05 0.04 0,99
lOb
224
266
0.40
0,85 0.66
1.76 1,38
P INETHYLPLPERID I:JE(2,6,
0.27 0,22 0,97
0,56 0.46 2.00
107
181
253
0.01
0,75 1.19
0.35 0.06
DIETHYL.AMINE 109897
0.48 0.39 1.94
0.02 0.02 0.11
108
91
377
0.01
6.04 4,8w
0.40 0,32
DIBEN1YLAMINE 103491
2.00 1.60 6.91
0.13 0.10 0.53
67)363
183
-------
APPENDIX C
DESCRIPTION OF COMPUTER PROGRAM M\SQUANT
FOR PROCESSIp G DATA COLLECTED USING MAS
184
-------
Description of the Computer Program 1ASQLANT for Processing and
Editing Data Collected Using the Naster Analytical Scheme
I. General
A computer program c4] .ed ! tASQUANT has been written to carry out some
of the basic calculations used to process data obtained using the Master
Analytical Scheme. M.;SQUANT consists of approxi arely 2,000 lines of
source code written in ANS i subset Fortran 77. which should make it
operable on any co,puter capable of handling this language.
The program consists of a main routine and sixteen subroutines,
which ill be described in greater detail below. The program is written
to be run interactively, with a continuing dialogue,between the user and
the computer. After all of the data re collectcd, a report giving the
calculated concentration of each identified component is generated.
in order to use LASQUANT. three files need to be accessed from an
external disk or tape. The files are organized in a sequential fashion.
and are read or written to in this same manner. Th& se files are 1) a
file which contains calculated correction factors for RNRs, which can be
applied to the library file, if desired; 2) a standard file consisting
of internal and external standards, along with associated data including
recovery factors and response factors; and 3) a file, written in the
identical for Lt as file 2, consisting of data for “unknown’ analytes.
The compounds and standards are orga;.ized into 13 classes, consistent
with the MAS Protocols. Detailed tormats for the three files are given
in this Appendix.
Ii. Description of the Operation of Individual Routines
(1) Main Pto ram
The main program organizes the entire scheme and carries out a
number of specific calcu1ar ons internally. On initialization, it
determines in what units the final results aze to be reported, the name
of the run, the data and tha class of unknown being analyzed. It deter-
mines if system performance standarcs (SPS) are to be used in modifying
the stored RMR values used in the analysis. It th.n proceeds to gather
information ab9ut the external and internal standards to be used in the
185
-------
Reptoducsd f’oen
best avai lable copy
analysts After the standards nsve been entered, the program determines
which ion of each internal standard i1l be used in the calculation for
each unknoi.n The protocol is briefly as folloi.s Each internal standard
is esamined in order For each internal standard one external standard
is chosen for comparison The external standard chosen is that standard
whose relative retention time ss closest to that of the internal standard
The amount of internal standard present is calculated t .o ways directly
from the amount specified bs the user corrected for standard recoserv
(fori.ard calculation) and by calculation using RIPs stored for the
particular internal standard/external standard comhination (back ard
calculation) If SF5 has been specified, thrse t s are corrected
according to the SF5 protocol For’ard calcuatson is carried out once
and the reverse calculation ii carried out four times for each of the
possible combination of ions of internal and external standards (2 x 2)
The internal stardard ion chosen is that for ‘hich the ‘eight correspond-
ing to the reverie calculation is closest to that of the fori.ard calcula-
tion.
A single ion for each internal standard is chosen in this manner,
and then the unknrwni are processed Data for eich indisiduat unkno’n
are collected and the concentration of that component is computed accord-
ing to the formulas shobn in the f b i. chart, using the internal standard
i.hsch has been chosen as described previously After all of the unknosns
have been proceised in this fashion, a report, shoi.ing the concentration
of each unknoi.n, is generated. At present the prcigTasr can accommodate
SD unknowns in each pan After each report is generated, the program
reitarts and the process can be repeated as often at derired
(2) Subroutine BUCTAB
BUCTAb ‘rites out a table of correction factors which are re’ad in
using subroutine TARL?W, or wbich are generated by program SF5 The
internal standards and external standards are independently listed along
‘sth tEe appropriate correction factor
(3) Subroutine D1..’POUT
Subroutine DUPOtJT checks the array of standard or unkno n numbers
for duplicates The arrays must have previously been sorted in ascending
186
-------
sequence. !f a duplicate is found, it as set equal to 10,000 Finally,
th. array is ralorLed, and the number of elements in the original array
is reduced by the number of duplicate entries found.
(4) Subroi.liri, EVTER
Subroutine L TER i used to enter a series of numbers hich are
tither internal standards, ..‘xtcrnal standards, or unknos.ns The subrou
tine is called four times in the program It ts called once b SPS,
once for eaternal standard entries, onte for intrrr al standard entries.
and once for unkflO n entries The nuribers are entered using iuhroutifle
P .Pt.1 len entries are permitted on each line, and the entire list of
entries is terminated sitti a zero entry The program also does range
checks for each type of compound. Laternal standard numbers ma. range
from 1 to 49, internal standards from 51 to 99, end unkno na from 101 to
999 Afte*’ the numbers are acquired. the list is sorted in ascending
sequence and duplicates are removed.
(5) Subroutine FIL!RD
This subroutine reads data free either the standard file or the
unkno n file Records are read sequentiall’ froir the beginning of the
tale until a match is found for the class number and the standard nu,..ber
It tte compound i.hsch is sought is not found, an error statement is
issued. otheri.sse all of the tile data including the compound narie,
molecular seight, recovery factor, son masses, R. s , etc are returned
for each compound sought
(6) Subroutine CETR!fR
This subroutine simply returns one chosen R_’lF. from those present in
the table Parameters are passed to the subroutine hich select the
appropriate reference itandard and the individual son of the compound
(7) Subroutine GTDATA
This subroutine queries the user to provide the relative retention
lime ani on-column height for a given substance The subroutine has
three entrie one for external stani 1 ard, on for internal standard.
and one for unknoi.nS The data are entered into the s)sLem by use of
the iubroutine 1 1PU7. The program re)eCl$ zero values as entries
187
-------
J Rep,oduc,r trom
best asailobi. copy
(B) Subroutine l’ PCT
lbPL”T is a codified version of a itandard AIlSI ort,an subroutine
designed to permit foeld-ITee aflput (or numeric daL i The program has
been altered for this applicatio’i. urberi can be rI.fered into the
first fi y columns of each line Only one line of data cai be entered
b a single subroutipe call mbers can be entered as Integers or as
floaung point itu .hers containing a a.sngie decimal point Delimiters
nwubrrr. are either a sucressiou of blanks or a single contra
Besides tiwees -als. rom.’nal. periods and blanks only the letters • B,
m i the avmbo1 ‘‘ a-c a io ed as entries “R ’ returns a code s -hich ii
u e -d to restart the program, B ii used to allot, the user to back up in
the program arid releit the previous section A question mark is used to
signal an error, atd the entire line can then be re-entered. All other
characters, including .“ and ‘ - ‘ are not aLloi. rd Turther details of
this program are found in the source l isttngs
(9) Subroutine ISRIP
Subroutine ISALP is a report ecutine shich ltsts the data stored
(or internal standards The variables liited are the standard nunb r.
iii nine, molecular veight, relative reteni ion time, mass of ion used
for co mputation. fornard and backi.ard calculated uesghts. and ssstcm
resrcnse
( ID) Suhreutsr ‘UPO T
RLPORT srstrs out the final report for the analysis in addition
to reporting pertinent data for rich run, rich unkno n as hsted by name
and number The calculated concentration of each component ii printed
either in PP9 (mg/i) or in PPB bag/li
(Ii) Suhroutsne R. fftTIX
P F1X ii a program sherby the R.’ values listed fur a particular
intrrnuj standard or unknoin are-altered by multiplication by the appro-
priate sorrection factor ubich his been previously stored on a disk
file The Iubtoutifle is called Lu ice once to correct R. s of internal
standards, and once for unknouns Although only a single L 1 is used by
the rain program, for the sake of simplicity all cat the h.lJts for a given
entry ale altered
188
-------
(12) Subroutine SORTUP
Subroutine SORTUP is a very low level sort routine written to order
integer rumbera in ascending sequence The algoruhiu used ii a simpie
bubble sort L ery number is compared i. ith every other If the numbers
are already in sequence, they are left without alteration If they are
Out of sequence, the numbers are exchanged Although this algorithni is
not highly efficient, u is only used for a maximum ‘.1 fsft . entries,
and a more sophisticated treatment was not we;ran:ed
(33 Subroutine SPS
Su iroutine SPS is a .ajor subroutine which determines if s item
performance standards are to be employed in correcting the R..IR values
stored Jr so, then a sequence is entered which calculates correctiqn
factors The program is coomented very completely in the source listing
and b) a fluw chart. In brief, the program initially deterriines whether
SPS processing is desired. whether a table existS, and whether or not an
existing table should be left unaltered, deleted, or updated The
system allows storing only a single iet of tables for one class of
unknowns If more than one class of unknowns are to be procest using
SPS, then the routine must be executed separatelt for each class
The program works by obtaining weights, times, and responses for a
series of net lesi than five ions From these data a square matrix of
R. ’ s are calculated, i.e., the R.’fR of each ion is calculated with
respect to every other ion entered Then, the P .’U s permanently stored
o.i disk or tape in the file for a single ion are cc.mpared with those
just calculated. makirg use of a simple linear regression through the
origin The slope of each regression line is the, stored as the correc-
tion factor for each ,on The correction factors are then written onto
disk for permanent storage (until the subroutine SPS is run again)
(14) Subroutine SPSCIOC
Subroutine SPSC}Q( is used to test entries made by the user under
SPS protocol to make lure that there is a table entry stored for each
ion reported This iubroutifle is executed twice during the course of
the program
189
-------
(15) Subroutine SYSRES
S SRLS is a data entry subroutine used to have t ’e user enter
system responses for a particu lar compound. The program already knows
the Sons for which responses are desired, and-prompts the user to respond
taking use of the subroutine fl.PVT.
(16) Subroutine TABLRL
Subroutine 7AS1 is uted to coessunicate between the main program
and the SF5 table of correction factors It can be used either to read
the table or to ‘-rite nn data onto the table in the read mode, the
subroutine checks to see hether a table is or is not present for the
class requested, and returns either the data or an appropriate return
code to indicate thst a tsble is absent
(17) Subroutine YOV
Subroutshe YON is used to handle alphabetic ans’ert to questions
If the first character typed is a ‘1’ or an r’, the subroutine aeturris
an arpropraate code In addition, the subrou.ane rerognises an ‘P”
character, a ‘8”, and a ““ The A and B are used by the calling pro ram
for a system restart or backspace, renpectivels, and a queatso mark
a l l e n the user to re -enter has ans er
190
-------
FORMAT OF
INTERNAL/EXTERNAL STANDARD FILE AND UNKNOWN
FOR rASTER ANALYTICAL SCRE IE
1. £ntnes (records) in file are ordered by:
1) class
2) compound nwrtber
3) ion mass
2. Each entry occupies of I or 2 records depending on the nu ibc; of
ions catalogued.
3. DCB=(RECFFB,LRTC1 44O,BLKSIZE 396O), UNIT lOS and XS). 8(LnI
A. FIXED PORT1O OF RECORD
First Last Byte
Description Format CoJun n Column Len tii
3) C0 POUND NAME. 36A2 1 72 72
2) BLANK 5X 73 77 5
3) NA IE LENGTH 13 78 80 3
4) flOL. 7. 14 81 84 4
5) BLANK 2X 85 86 2
6) CPD. N1J 1BER 14 87 90 1.
7) CPD. CLASS 12 91 92 2
8) MASS OF ION 14 93 96 4
9) RECOVERY F4.2 97 100 4
10) BLA\1 I X 101 101 1
13) TYPE FLAG (1-IS; 2-XS, 3 ) 13 102 102 1
32) NO. OF IONS (3 OR 2) 11 103 103 1
13) Io ; NUIBER (1 OR 2) Ii 104 104
14) RECORD Ic1JMBER 14 105 108 6
15) NO. OF STDS. W/RtIRs 12 109 110 2
16) BLANK lOX 111 120 10
191
-------
. VARIAPIF. ro#tI.’M
tand rd N .u.,h.r
il?
(4)
Dtscrjj.t1 nn
ror..at
Pyt
Ffl I fl
16 111
FR (6
16
ST. N I l.
12
2
171 122
141 162
16) 162
16* *67
ST. FIG. (1—65: 1— 1 5)
I I
I
12) 12’
I *43
)I ’) 16)
I II) 16)
140. 111 510. InKS (I OR 2)
II
1
114 174
144 144
164 1144
1R4 164
t. MASS I
I )
I
175 127
145 I(.I
IfS 167
16 1117
6116 1
1 5. :
s
176 fl2
i n
166 *97
St. MASS 2
13
3
1)1 1)5
153 135
171 175
*13 t c
6146 2
F 5.Z
S
I 6 140
(51, 11.0
171. III )
I II. 200
ST. HO.
12
2
(5)
20* 71 )7
( !
22 1 222
(
241 247
i
21.1 21.7
SI. FLC. (1—65: 2—1 51
II
I
2111 7l ) )
77 ) 273
741 24)
26) 763
*40. oF 510. (0145 (1 06 2)
II
(
74 )6 14 1’.
774 224
244 244
21.6 244
ST. MASS I
15
3
7IV’ . 2111
275 221
265 767
26?, 262
#1 I
15.2
2 , 7(7
77li II ?
732
V.6 277
SF. MASS 2
33
3
211 2)5
23) 215
7.) 755
27) 775
P.MR 2
15.2
e , 270
716 740
2 ( , 7f fl
276 260
ST. 140.
12
2
IQ)
261 262
(In)
301 102
(II)
32) 372
(12)
361 367
ST. FIG. (1—XS; 7—IS)
Ii
I
2*4) 7443
3’)) 1)))
32) 323
343 343
NO. OF STU. IONS U 06 2)
*1
I
264 214’,
3114 191.
371. 324
344 141.
Si. p&Ass t
11
3
2)45 2141
3115 107
32?, 321
345 31.7
P146
15.2
S
21444 797
3 )46 3)2
3.16 3)2
366 357
ST. MASS 7
(3
3
291 295
313 3 )5
III 315
35) 35?,
6.146 7
15.2
S
2*14 3(141
316 320
3)6 360
336 31.0
• 1jp
i! )
(IS)
(If)
ST. 14 ( 1.
12
2
3.5) 31.2
36) 362
t.flI 41)2
421 472
51. 1L1. ( (—x c; 2—IS)
II
1
1’.) 11.3
7111 36)
40) (.1)3
67) 4,73
*io. or Sic ,. (011$ (I oR’2)
ti
I
11 ,4 Ih
364 3444
6114 (.414
474 474
ST. MASS I
I)
3
14,5 147
IRS IN?
6)15 69)
475 621
6146 I
IS.!
S
34.41 112
14411 392
61)6 6)2
6711 4(2
ST. MASS 7
( 3
I
37) 375
39) 395
611 4(5
‘.1) 4)?,
6 ) 46 2
15.2
5
371. 36(1
1’*f 41)0
41b 47(1
f H , “0
-------
FOR 1AT OF CORRECTION FACTOR TABLE FOR
SYSTEPI PERFORIIANCE STANDARDS
PlASTER ANALYTICAL SCEE XE
DCB (RECFfl:FB,LRECLBO,BLNSIZE8OO) , U 1T 6
FIRST CARD DESCRiPTION
First Last
Toru,at Bytes Column Column
1. TABLE FLAG,. 0-NO TABLE, 1] 1 1
1-TABLE
2. TABLE CLASS 12 2 2 3
3. NO. OF STDS. (NTST) 12 2 4 5
4. DATE 4A2 6 6 13
SUBSEQENT CARDS ( NTST IN 1.’ 1BER )
1. STANDARD NUNBEh 13 3 1 3
.2. ]NT/EXT FLAG (1 OR 2) 11 1 4 4
3. NO. OF FACTORS (1 OR 2) ]I I S S
4. HASSI 13 3 6 B
5. FACTOR I F5.4 5 9 13
(.. PIASS2 13 3 14 16
7. F.ACTOR 2 FS.4 5 17 21
193
-------
TAPE DOCUMENTATION
The tape RM375 was written in IBM statidard label format in EBCDIC
at 1600 B.P.1. The order, names, and contents of the data sets residing on
the tape are as follows:
1) EPAQNT.CARD3.STDS
Card image data for a single test class of standards for primary
input file fort the program ADD(s).
2) EPAQNT.CLASS3 .STDS
Test data set to be used as standard file input to MASQWT (11).
This file can be generated by uting ADD(S) with (1) as primary
input.
3) EPAQNT.CARD3 .ANLS
Card image data for a single test class of analytes fot primary
input file for the program ADD(S).
4) EPAQNT.CLASS3. Atil. S
Test data set to be used as analyte file input to t4ASQNT (11).
This file can be generated by usinq ADD(S) with (3) as primary input.
5) EPAQNT.ADD.SOURCE
This file comprises the card image source code for the data base
creation program ADD. See data base management documentation for
input and output file numbers and formats.
6) EPP 1 QNT.REPORT. SOURCE
This file comprises the card image source code for the listing
generation program REPORT. See data base management documentation
for input and output file numbers and formats. Can be tested
using either (2) or (4) as input.
194
-------
7) EPAQNT. EDIT.SOORCE
This file comprises the card image source code for the data
base modification program EDIT. The sample run can he reproduced
by using (8) as control card input and (2) as primary input file.
See data bdse management documentation for input and output file
numbers and formats.
B) EPAQflT. EDIT.CNT [ CARD
This file c3nprises card images which are to be used as ontrol
cards for WIT (7) along with (2) in generating a test run.
9) EPAQNT.DELETE.SOURCE
This file comprises the card image eource code for the program DE lETE.
The sample DELETE run can be produced using (10) as control cards and
(1) as a primary input file. See data base management documentation
for input and output file numbers and ‘ornats.
10) EPAQfl.DELZTE.CNTLCARD
This file comprises card images which are to be used as control cards
for DELETE (9) along with (2) in generating a test run.
11) EPAQNT.MASQNT.SOURCE
This file contains the card image source of the revised MASQNT.
Sample analyte, standards, and table files are (4), (2,, and (12)
respectively.
1 2) EPAQNT. SPS STABLES
This is a copy of the System Performance Standards C.bles used
in the sample run of MASQNT.
A copy of a successful run for each of the four data base management
programs was included. It should be possible to duplicate the same
195
-------
output on another machine with the documentation of each program being
used and the appropriate combination from the above twelve tape datasets.
Perhaps the easiest way to create a new MASQNT data base is to assign
atE*ndard and analyte IDs according to the ADD documentation, fill out
copies of the entry forms provided, and use a combination of the ADD,
REPORT, and the editor of the particular machine being used. A sample of
blank entry forms for ADD is provided herein.
196
-------
HASQNT
This second version of MASQNT uses the sane fortran unit numbers for
input/output as the first;
Unit - User Input
Unit 3 - User Output
Unit 6 — System Performance Standard
correction tables
Unit 7 — Standard Database
Unit 8 - Analyte Database
The protocol class names and their corresponding numbers are as follows:
1. Purge and Trap (VO)
2. Elevated Temperature Purge and Trap (KEWS)
3. Batch Liquid-Liquid Partitioning for pH 8 Extractab es/
No fractionation (WABN- BLLE)
4. Batch L-L Partitioning for pH 8 Extracc.ables/Fraction No. l (WABN)
5. Batch L-L Partitioning for pH 8 Extractables/Fraction No. 2 & 3 OYABN)
6. Batch L-L Partitioning for pH 8 Extractables/Fraction No. 3 (WABN)
7. Flow-Under L-L Partitioning for pH 8 Extractables (WABN-FIJ)
8. Accumulator Column for pH 8 Extract.ahles (WABN-SC)
9. Batch L-L Partitioning (pH 1) for Acid Extractables (ESSA)
10. Anion Ion-Exchange/Distillation for short chain acids (VOSA)
11. Anion Ion-Exchange for strong acids (NOVA)
12. Cation Ion-Exchange for Primary and Tertiary Amines (SAN-PT)
13. Cation Ion-Exchange for Secondary Amines (SA!i-S)
197
-------
Data Ba8e Management Programs For MASQHT
The data base management system for the master scheme consists of four
programs: ADD, DELETE, REPORT, and EDIT. All of the programs are written
in ANSI Fortran and are intended to operate in a batch environment. The
data base used by MASQNT consi.sts of two files: a standard file which
contains the R$R’s of standards versus each other and an analyte file which
contains RI4R’s of analytes versus standards. The format of the standard
and analyte files are the same and any of the four programs can be used on
either file. While the programs should be protable they do not by themselves
furnish the capability of modifying the I4ASQNT data base. The sort utility
of the machine being used must be used in preprocessing or postproce5Sifl
steps. The control cards to three (DELETE, REPORT, and EDIT) n’ust be soited
in a particular sequence as well as the output files generated by three
programs (ADD, REPORT, and EDIT). Also some file handling utilities have
to be used in conjunc’ on with the programs which modify the files (ADD,
E .)LT, and DELETE). These programs use the c 1 riginal data file (standard or
analyte) and card images as input and write Ui updated output to a different
file. The renaming, deleting, backup, and changing to the new input file
for MASQNT must be done b the user with utility programs on the machine
these programs are being run on.
198
-------
REPORT
The program REPORT produces a formatted listing of the files used by
MASQNT from card images specified by the user. REPORT is used to generate
listings of the data base, to verify the correctness of ne. entries made
into the data base by ADD.
REPORT reads the MASQNT file from unit 6 and writes a listing output
to unit 3. The control cards are read from unit 1 and must be ordered by
ascending class nuinnber (card columns 15—16) ane by ascending compound
number (card columns 17—20) within class number. Error messages concerning
control cards are written to unit 4. Two types of controls cards are
recognized by REPORT: LIST and ALL. The ALL card is used to generate a
listing of the entire file. All that is needed to generate a complete file
listing specific entries in the file when a complete printout is not desired.
A typical use of the LIST option would be to verify the correctness of
changes (on a limited number of entries) made by the program EDIT.
LIST 26 0 63
LIST 153 9 3
LIST 58 9 761
LIST 61 9 772
Format of Control Cards for Report:
Beginning Ending
Column Column Field Contents
LIST 1 4 LIST
11 14 Record 0 of Compound (right justified)
15 16 Class 0 of Compound (right justified)
17 20 Compound P (right justified)
21 21 lonO
ALL 1 3 ALL
199
-------
The field in column 21 of the LIST card is used for printing out
individual ions for a compound entry, i.e., a 1 coded in column 21 will
cause the program to list the first ion only and an 2 will cause the program
to list the second ion only. Leaving column 21 blank will cause the progran
to list all ions for the given compound.
The numeric entries in the field columns 11—14, 15—16, and 17—20 must
be right justified. The control cards must also appear in’ order class 4
and compound 4 within class 0.
Since the LIST card is intended for use with only a few specific
entries and since the ALL card can always be used to print the entire file,
the number of control cards for REPORT should be limited, thereby making it
easy for the user to enter control cards in the proper order. However, in
the event ov a large number of LIST cards it should be possible to order
the cards in a prior step with the sort program of the particular machine
being used.
200
-------
DELETE
The program DELETE is used to eliminate entries from the data base
which are no longer used or which have been found to have been entered
incorrectly. DELETE reads control cards specifying which compounds are to
be deleted from unit 1, reads the input file from unit 7, and writes the
output file to unit 8. Error messages and messages telling which entries
were deleted are written to unit 3. Each run of DELETE n in a sense
tentative because the original file is left intact. If the user is not
satisfied with the error messages returned by the program, he can simply
alter the control cards and run DELETE again using the sane input and output
files. When a DELETE run without error messages is obtained the user can
then finalize the deletions by scratching the input filc’ and renaming the
output file to the old input file name with the utility progrems of his
particular machine. ONly one type of control card is recognized by DELETE,
the ‘DEL’ card which is specified by coding DEL in card columns 1-3. The
USeL e 1LCi5 one DEL card for each compound to be deleted from the film.
The program expects the cards to be sorted in order of ascending class
number and by ascending compound number within class number. Having the
cards out of order will cause DELETE to issue an error message. In the
event that many entries are to be d. leted, it may be advantageous to sort
the control cards with a utility program prior to running CELETE.
The format of the DEL cards is as follows:
201
-------
Beginning Ending Field Contents
Column Column
1 3 DEL
11 14 Record 0 of 1st Compound Ion (right
justified)
15 16 Class 0 of Compound (right justified)
17 20 Compound 0 (right justified)
DEL 1 1 4
DEL 3 1 52
DEa. 11 2 57
As with REPORT the numer•c entries in the field columns 11—14, 15—16 and 17—
20 are all right justified. Also as with REPORT, the control cards should
be entered in order of ascending class 0 and compound 0 within class 0.
202
-------
Unsorted
J Cont-rol
Cards
‘4,
Sort in Ascei L1n
)rder on
ols 15—16
(Class II)
Cols 17—20
(Compound
II)
1
DELETE
Program
Sorted
Card Image
Edit Changes
MASQNT
File
WI th
Deletions
Sieps for DLLUE Pro ran
I
I
I
203
-------
EDIT
The program edit is used to modify existing entries in either the
standard or analyte files. The control cards are read from unit 1, the old
data file is read from unit 7, and the new modified data file is written to
unit 8. Messages from EDIT are written to unit 3, like DELETE and ADD,
each run with EDIT is’ tentative because the original file is not modified.
The EDIT program can be run as many times as needed uiitil a correct output
file is generated. The changes made by EDIT become final only when the
input file is scratched. EDIT can be run on the standard file to modify
RMR’s of standards or on the analyte file to modify RMR’s of analytes versus
standards. EDIT recognizes three types of control cards: The CRMR card
which modifies existing RtIR’s, the ASTD card which adds RMR’s for new
standards. The control cards to EDIT must appear in order of ascending
class number (card columns 15—16), ascending compound number within class
(card columns 17—20), and ascending ion within compound (card column 21)
in order for EDIT to work properly. As with DELETE and REPORT, the sort
program of the particular machine may have to be used in the instance of a
large number of cards. No sorting of the output file of EDIT is required.
The format of the CRJ4R is as follows:
204
-------
Beginning Ending Field Contents
Column Column
1 3 ADD
6 6 Number of Ions for Compound (1 or 2)
8 9 Number of Standards (1 to ‘16)
11 12 Class Number (see figure for permissable
codes)
14 14 Type (1 to 3)
1 External Sfandard
2 = InternaL Standard
3 Analyte
16 19 Mass of 1st compound ion
21 24 Mass of 2nd compound ion
26 29 Compound molecular weight
32 35 Recovery fraction for compound
(Real fraction between 0.0 and 1.0)
37 39 Compound ID
The NAME card has only one item: The name of the compound being added
which starta in column 6. The STD cards follow the ADD and NAME cards.
Each SW card contains the RMR’s for a given ion of the compound being
added relative to a given standard. •The number of ions permitted for a
compound is either 1 or 2 and is coded in column 6 of the ADD card. The
number of STD cards which are to follow for each ion s coded in columns 8-
9 of the ADD card. The STD cards for the second ion — if the compound has
two inns — follow the STD cards for the first. The iten 5 on a STD card and
their respective fields are as follows:
Beginning Er4inq
Column Column
1 3 STD
6 6 Ion Number (1 or 2)
8 9 Sequence Number of Standard within
Ion (1 to 16)
11 12 Standard ID (Explained Below)
14 14 Standard Type (1 = External,
2 = Internal)
21 23 1st Standard Ion Mass
26 30 1st Standard RMR
32 34 2nd Standard Ion Mass
37 41 2nd Standard RM
205
-------
The format of the ASTD card is as follows:
Beginning Ending
Column Column
1 4 STD
11 14 Record it of Compound
15 16 Class it of Cbmpound
17 20 Compound it
21 21 lonit
26 27 ID I i of Standard within Record
29 29 Standard Type
(1 External, 2 = Internal)
31 33 Mass #1
35 39 RZ4R 01
41 43 Mass #2
45 49 RMR#2
The entries in columns 11—21 are used to locate the correct entry in the
data base. The ID number for the standard should be consistent with the
instructions to ADD. If there are already sixteen standards for the cc,mpound
ion the program will print an error message with no change of. the standard
record.
The DSTD card accomplishes the reverse of the ASTD card — it is used
to strike RMR references to standards which are no longer to be used and
which have been deleted from the standards file.
The format of the DSTD card is as follow:
Beginning Ending
Colusn Column
1 4 DSTD
11 14 Record it of Compound
15 16 Class it of Compound
17 20 Compound 4
21 21 lonO
23 24 Ordinal it of Standard within Record
26 27 ID it of Standard withj.n Record
The fields in colunns 11—21 locate the entry as with the ASTD card.
Ordinal number of the standard within the entry (columns 23—24) is used as
a check against the standard ID to ensure that the correct standard reference
is deleted.
206
-------
Beginning Ending
Column Column
1 4 CRMR
11 14 Record 0 for Compound
15 16 Class 0 for Compound
17 20 Compound 0
21 21 lonif
23 24 Ordinal * for Standard on Report
26 27 ID 0 of Standard on Report
31 33 Standard ion Mass 01
35 39 RJ4R O1
41 43 Standard Ion Mass #2
- 45 49 RMR#2
The CP.)4R control card information is meant to be taken from the output of
REPORT. The EDIT program uses the compound 0, class 0, and ion 0 to locate
the entry in the data base and the record 0 as a double check. The standard
ordinal 0, standard ID 0 and standard ion mass are used to locate the
correct standard ion mass on the data base entry matches the mass entered
in card columns 31—33, then the data base RMR for that standard is replaced
by contents of card columns 35—39. Likewise, if the second standard ion
mass on the data base entry matches the mass entered in card columns 41—43
the data base RMR for that standard is replaced by the contents of card
columns 45—49. Leaving a standard ion mass field blank will result in no
R14R change regardless of the cor.tents of the corresponding RMR field.
The ASTD card is used to add standard references to existing entries
in both the analyte and standard files and thereby enter RMR information of
existing entries entries versus newly added standards to the data base.
207
-------
EDIT
Program
‘if
Sort in Ascending
Order on
Co19 15—16
(Class Q)
Cole 17—20
(Cowpound D)
Cot 21 (Ion 0)
‘if
/
1 ’
Sorted
Card Image
EDIT Changes
5 ,ps for £017 Prcgrar
Unsorted
Control
Cards
I
208
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ADD
The program ADD is used to add new compounds to the MA.SQNT data base.
.DD reads in the new compounds from card images on unit 1, reads the old
IASQNT file from unit 7, and writes the new MASQNT file with added entries
to unit 8. Before the new MASQNT file created by ADD can be used by the
MASQNT program, it must be sorted in order of ascending class number (columns
91—92) and in order of ascending compound number (columns 7-9O) within
class $. It is strongly reconimended that any new additions to the MASQWT
files be proofed by use of the REPORT program before they are used as input
data for MASQNT. Like DELETE and EDIT each run of Ai.D is tentatj until
the old file is deleted and the new file is renameci to the old file name.
The ADD program recognizes three kinds of control ca:ds: The ADD card
which supplie3 numeric information on the compound being added, the NAME
card which supplies the name of the compound b. ing ada d, and the STD card
which supplies information on the RZIR’s and ion rr sses for each entry. The
card image input to ADD for each compound consists of first an ADD card,
followed by a NAME card, and however many STD cards were specified in the
/
fields for number of ions and number of st . ndard on the ADD card. The
program checks for proper sequence of ADD-NAME-STD cards and for the proper
number of SW cards following the ADD and NAME cards and issues an appropriate
error message if there is a discrepancy.
The items for the ADD card with their respective columns dre as follows:
209
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When adding compounds to the data base new co pound ID ’s have to be assigned,
Zach new entry must have a compound ID number assigned to it. It is crucial
that the compound ID’s (columns 11—12 of the STO card) be assi; ed
consistently. The compound numbers must fu1fi. l two requjrements* A range
requirement and un quenese WjthLn compound class. The co pound ID numbers
must be within the following ranqee:
External Standards
Internal Standards 51-99
Analytes 100-999
The types for standards must also follow the coridition s
Interüal Standards Type — 2
External Standards Dipe — 1
Analytea Type — 3
Whether making ad1 tjcsns to the standard file or to the analyte file,
the output file generated by ADD must be sorted in order of increasing
class number (columns 91—92) and in order of increasing compound number
(columns 87—90) within class number. After being sorted the file should
have new entries verified by the REPORT progran before the new file is used
by MASQNT.
210
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4
Add
Prograni
4
Unsorted
I MASQNT I
I Filew/ I
dit j
1
Sort in Ascending
Order on Class #
(Cola 91—92) and
Compound I (Ccl v
87—90) Within
Class I
1f
Updated
MASQNT
Steps for ADI Pro ran
211
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‘viass UUaflhIhThOfl L1110 lrnry
I I I I 1 S — a fl fl A A A • •
Ifli II A% AS A’.% Nfl A 511 ltlll All
AN USi aii. wa I A twIt NIASIA I 5 •I I I? Al I Ill IIflb•tiIV M .N
E J OnJL1JDr_I.I. r!]1-]LLLLJ LIIIJ F-Ill 111111 —
NAIl CO*I?IW’IO ANAl___________________
FI 1-Tfl [ I T rrujj _ uiJI [ L [ ri L1IUJLLIIm:Lrrrrl I I i H i i i i t i H
I I I SI II S N II A P II
PS IQ SID Sin TII NN%% tfl A MA Sift NIASS ITO AMA
ITO Mi IA) Al I API NUMPI ii I IIISAP Al AIIAI1I ITS IItJ i A S
rnmn _ __ _
-------
Figure c-i. Flow Chart of Master Scheme Softhare
November, 1980
Glossary
PPN = Parts per Plillior.
PPF Parts per Billion
FACT Factor
SPS Syster Performance Standards
VOL - Volume
IS Internal Standard
XS Lxternal Standard
RRT Relative Retention Txr e
WT = Weight
= Unknown
MW Molecular Weight
SR System Response
RMR Relative Molar Response
FOR Forward
BACI Backwazd
(continued)
213
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Flow Chart of Master Scheme Software
Novev ber, 1980
[ Type Heading
/or
N B
Fact 1000
0 _______
Enter Class
1 u er (NFR)
<- 1NPUT
20- 9 FR ‘50 r
error v ,LUE
1—19
tcla
(cont inucd)
214
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Read in Sample Information
1) Sample code
2) Date
3) Comments
4) Voiur of water sampled
and processed
(continued)
215
-------
Exiernal Siandard 1n1orr aI*On
WXFL ii a flag Indicating Xi.
(continued)
216
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Find Out How Many
Valid Ext. Stds.
(Non—zero Responses)
(continued)
217
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I?;T Internal Standard Routine
Enter
mt. Std. Enter
Nos.
N
mt.
td .
V Error
Ext. 1 (o To
tds
Get mt. Std. Y
Information.
Vol lows
Algorithm Substitute
for Ext. Stds. Ext. Stds.
(FILERD, For Internal
GTDATA.
SYSRESP) ______
( E
(continued)
218
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Select which mt. Scd. thn
to use if data for more
than one ion is available.
(continued)
1
Choose XS
with Smallest
Itime Difference I
Caic. Forward
Ar of INT STL) hdded (AISA)
A1SA Wt. 1 :. Recov.i
219
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Ad)ust RIRS
for SPS
(continued)
Loop 4: for Each Combination
of IS ion and XS Ion
(2 x 2 4 in all)
Calculate back. t (ATSC)
Arnt. Std. Caic.
220
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(continued)
y
221
-------
(continued)
222
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COnt1nucd)
223
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C UNK )
L
et Sybtem Re5ponse
ft’r L ch Ion.
Use the Larger
Value Only.
Det r ine the IS
the Nearest RRT
Adjust RNRs
Using Correction
Factors
— Calculate Unkno .m Veight
x S.R...,. x M 11 . , ——
U:.k 7(I) x S.R. 15 x R R x Recovery
ç j
(cont in ied)
224
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Prepare for Report
Loop to 0
(continued)
225
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Read
Subroutine to Deternine
Correc tftn F crors for
Ri 1Rs
N
y
(continued)
226
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Determine Tot3l
‘ umber of Ions (NTION)
(cont 1 nued)
227
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(continued)
226
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229
(Continued)
-------
Print Out Table
of CorrecUOn Factors
230
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