ML20092C659
| ML20092C659 | |
| Person / Time | |
|---|---|
| Site: | Clinton  |
| Issue date: | 08/08/1995 |
| From: | Freeman W, Keller T NUCON, INC. |
| To: | |
| Shared Package | |
| ML20092C639 | List: |
| References | |
| NUCON-06IL902-0, NUCON-06IL902-01, NUCON-6IL902, NUCON-6IL902-1, NUDOCS 9509130084 | |
| Download: ML20092C659 (93) | |
Text
{{#Wiki_filter:. . .. - - - . s NUCON Internotionol, Inc. TELEPHONE: (614) 846-5710 OUTSIDE OHIO: 1 800-992 5192 P.O. BOX 29151 7000 HUNTLEY ROAD TELEX: 6974415 COLUMBUS. OHIO 43229 U.S.A. FAX: (614) 431-0858
's PYROLYSIS GAS CHROMATOGRAPIIY.
4 ANALYSIS OF 9 THERMO-LAG FIRE BARRIER SAMPLES . 1 Performed For: Illinois Power Company Clinton Power Station RR 3, P. O. Box 678 (Rt. 54 E.) Clinton, IL 61727 i P. O. Number PO554603 2 August 1995 . Distribution . Clinton: Brian Ford (1) Ram P. Bhat (1) NEI: Biff Bradley (1) NUCON: 061L902 Master File (1) Lab (1) NUCON 06IL902/01 9509130084 950906 DR ADOCK 0500 1
NUCON 061L902/01 l NUCON International, Inc. TELEPHONE. (614) S46-5710 OUTSIDE OHIO. 1-800-992 5192 l P.O. BOX 29151 7000 HUNTLEY ROAD TELEX: 6974415 COLUMBUS. OHIO 43229 U.S.A. FAX: (614) 431-0858 E] 2 . _ _. Prepared By Reviewed By Original Issue d,i a jo- w / ,+,-, - .5.- - W. P. Freeman T. S ,Keller
- ~ , , ,
Date Date
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- j NUCON 06IL902/01 4
I. ABSTRACT InWaa of the'pyrograms of 9 Thermo-Lag fire barrier samples indicated that they are i all similar in chemical composition. j II. OBJECTIVE i Pymlysis Gas Chiew.4esrephy (PGC) with Mass Selective Detection (MSD) was used to l'
- - qualitatively compare nine Thermo-Lag fire barrier samples. ,
l III. DESCRIPTION OF METHOD j The samples were compared by pyrolysis gas chromatography using ASTM D3452 as a . general guide. A Hewlett-Packard model 5890 series II gas chromatograph equipped with a Hewlett Packard model 5972 mass selective detector was used to generate chromatograms of the pymlysis products. Pyrolysis of the Thermo-Lag samples were ! 4 performed with a CDS pympmbe mounted in an independently heated interface attached to the injection port of the GC. Analysis involved weighing 1-3 mgs. of sample in a ,
, quartz tube and placement of the tube in the platinum coil element of the probe. The
! probe is then placed in the interface and.p.yrolysed ballistically for 2 seconds. Pyrolytic _, 2 products are then swept by the carrier gas onto the fused silica capillary column where
- they are separated and detected with a MSD. Chromatographic and pyrolysis conditions '
are shown in Table 1. Prior to each analysis, the column is heated to 250*C to elute any volatiles which were not entrained in the polymer. l IV. PRESENTATION OF RESULTS 1 The nine pyrograms (total ion chromatograms) for each of the nine Thermo-lag samples j l are shown in Figures 1,3,5,7,9,11,13,15 and 17. The extracted ion chromatograms j using the acrylate base ion m/e of 55 common to ethyl acrylate (EA) and m/e of 69 j common to methyl methacrylate (MMA) for each sample are shown in Figures 2,4, 6, , 8,10,12,14,16 and 18. The sample name at the top of each figure is the NUCON log ;
# I. D. Samples 0595-19 A-I are further identified in Table 2 along with their respective ,
EA/MMA area ratios. Each set of figures is followed by a library search, which identifies j l i some of the major peaks from each sample's pyrogram, and a summary area percent report. , 1 1 L-____..___;_.__ t
t . 9 l ' NUCON 06IL902/01 l 1 4 V. DISCUSSION OF RESULTS I De average extracted ion area ration for EA/MMA of 1.23 i0.08 ( a) shown in Table : 4 2 is consistent with the average area ratio of 1.3 i 0.2 (to) obtained from other Thermo- i i Iag samples tested under the NEI generic testing program. ~ - - - The extracted ion chrom ato grams shown in Figure 2 for sample 0595-19A, a 1 hour rated j conduit sample, have an EA/MMA ration of 1.28. Pyridine compounds identified in the
- pyrogram (Figure 1) are 3 - methyl pyridine, 3,5 dimethyl pyridine, 2,,3,5 - tremethyl
; pyridine and 5 - ethenyl - 2 methyl pyridine. Other key components identified are 2, 3, 4, 5 - tetramethyl - 1H - pyrrole, pentanedioic acid diethyl ester (visual inspection),
l
- triphenyl phosphate, octicizer and tris (methylphenyl) phosphate.
ne extracted ion cinwietograms shown in Figure 4 for sample 0595-19B, a I hour rated
- panel sample, have an EA/MMA ration of 1.31. Pyridine compounds identified in the pyrogram (Figure 3) are 3 - methyl pyridine, 3, 5 - dimethyl pyridine, 2, 3, 5 - trimethyl i
pyridine and 3 - ethyl methyl pyridine. Other key components indentified are 2, 3, ' 4, 5 - tetramethyl - 1H - pyrrole, pentanedioic acid diethyl. ester, tris (methylphenyl) ! . phosphate and octicizer. De extracted ion chromatograms shown in Figure 6 for sample 0595-19C, a 1 hour rated panel sample, have an EA/MMA ratio of 1.16. Pyridine compounds identified in the pyrogram (Figure 5) are pyridine, 3 - methyl pyridine and 3, 5 - dimethyl pyridine. Other key components identified are 2, 3, 4, 5 - tetramethyl - 1H - pyrrole, pentanedioic acid j diethyl ester, triphenyl phosphate, octicizer and tris (methylphenyl) phosphate. De extracted ion chreceivgisms shown in Figure 8 for sample 0595-19D, a 1 hour rated panel sample, have an EA/MMA ratio of 1.11. Pyridine compounds identified in the '
- pyrogram (Figure 7) are 3 - methyl pyridine and 3, 5 - dimethyl pyridine (visual inspection). Other key components identified are 2, 3, 4, 5 - tetramethyl - 1H - pyrrole
- (visual inspection), pentanedioic acid diethyl ester (visual inspection), triphenyl phosphate, octicizer and tris (methylphenyl) phosphate.
- De extracted ion chiereisgrams shown in Figure 10 for sample 0595-19E, a 1 hour rated i
- conduit sample, have an EA/MMA ratio of 1.19. Pyridine compounds identified in the )
pyrogram (Figure 9) are pyridine, 3 - methyl pyridine and 3, 5 - dimethyl pyridine. Other j key components identified are 2, 3, 4, 5 - tetramethyl - lH - pyrrole, pentanedioic acid diethyl ester, triphenyl phosphate, octicizer and tris (methylphenyl) phosphate. 2 De extracted ion chmmatograms shown in Figure 12 for sample 0595-19F, a 1 hour rated 4 panel sample, have an EA/MMA ratio of 1.26. Pyridine compounds identified in the pyrogram (Figure 11) are 3 - methyl pyridine and 3, 5 - dimethyl pyridine(visual 2
NUCON 06IL902/01 i l 4 inspection). Other key components identified are 2, 3, 4, 5 - tetramethyl - IH - pyrrole, ! pentanedioic acid diethyl ester, triphenyl phosphate, octicizer and tris (methylphenyl) phosphate. De extracted ion chromatograms shown in Figure 14 for sample 0595-19G, a 1 hour rated conduit sample, have an EA/MMA ratio of 1.24. Pyridine compounds identified in the pyrogram (Figure 13) are 3 - methyl pyridine and 3, 5 - dimethyl pyridine, 2, 3, 5 - i trimethyl pyridine, 3 - ethyl mehtyi pyridine and 5 - ethenyl methyl pyridine. l Other key components identified are 2, 3, 4, 5 - tetramethyl - 1H- pyrrole, pentanedioic acid diethyl ester, triphenyl phosphate, octicizer and tris (methylphenyl) phosphate. The extracted ion chromatograms shown in Figure 16 for sample 0595-19H, a 1 hour rated panel sample, have an EA/MMA ratio of 1.35. Pyridine compounds identified in the pyrogram (Figure 15) are 3 - methyl pyridine and 3, 5 - dimethyl pyridine (visual ; ! inspection). Other key components identified are 2, 3, 4, 5 - tetramethyl - 1H - pyrrole, 4 pentanedioic acid diethyl ester, triphenyl phosphate, octicizer and tris (methylphenyl) : i phosphate. The extracted ion chromatograms shown in Figure 18 for sample 0595-19I, a trowel grade i sample, have an EA/MMA ratio of 1.13. Pyridine compounds identified in the pyrogram (Figure 17) are pyridine, 3 - methyl pyridine and 3, 5 - dimethyl pyridine. Other key j components identified are 2,3,4,5 - tetramethyl - 1H - pyrrole, pentanedioic acid diethyl 1 ester, triphenyl phosphate, octicizer and tris (methylphenyl) phosphate. In conclusion, the results indicate that the nine Derm &In samples are consistent in terms of chemical composition to other Thermo-Lag samples tested as part of the NE1 generic
- testing program.
i J 4 3
l NUCON 06IL902/01
;i TABLE 1 Chromatographic Conditions:
30 meter 0.25 mm narrow bore fused silica HP-5 CB capillary column. Carrier Gas: Helium,0.9 mL/ min, split ratio 35:1 , l Column Conditions: , Initial Temperature: 50*C for 1 minute hold Temperature Ramp: 8*C/ min to 250 C Final Temperature: Hold at 250 C for 10 minutes Injector Temperature: 250*C Detector Temperature: 280*C l
- Detector was an HP MSD in scan mode (30-550 amu)
Pyrolysis Conditions: f Pyrolysis Temperature: 650*C Interval: 2 seconds i Ramp: 2*C/ millisecond Probe Type: Platinum Coil l Interface Temperature: 205'C i 4 i f
NUCON 061L902/01 TABLE 2 Sample EA/MMA Ratio NUCON Log # 0595-19A, Firezone CB-5A - - - - - 1.28 Sample N, Half #1, Thermo-lag 1" Conduit CC34A Thermo-lag 330-1 Lot No. F9-126010 NUCON Log # 0595-19B, Sample P 1.31 Half #1, Firezone CB-5A, Thermo-lag 1" Panel CC34A, Thermo-lag 330 Lot No. F9-96 02 8 NUCON Log # 0595-19C, Sample M, Firezone CB-5A 1.16 Thermo-lag 1" Panel CC34A, Thermo-lag Lot # F9-96029, Half #1 NUCON Log # 0595-19D, Sample Q, Firezone CB-5A 1.11 Thermo-lag 1" Panel CC34A, Thermo-lag Lot # F9-86013, Half #1 . NUCON Log # 0595-19E, Sample E, Firezone CB-5A, 1.19 Thermo-lag 1" Conduit, CC34A Thermo-lag 330-1 Lot # F9-017030, Half #1 , NUCON Log # 0595-19F, Sample L, Firezone CB-5A, 1.26 Half #1, Thermo-lag 1" Panel, CC33, Thermo-lag 330-1 Lot # F9-96014 NUCON Log # 0595-19G, Sample H, Firezone CB-5A, 1.24 ; Half #1, Thermo-lag 1" Conduit, CC33 Thermo-lag 330-1 Lot # F9-017007 NUCON Log # 0595-19H, Sample O, Firezone CB-5A, 1.35 Half #1, Thermo-lag 1" Panel, CC33 Thermo-lag 330-1 Lot # F9-126012 NUCON Log # 0595-191, Sample A, Firezone CB-4, 1.13 l Half #1, Thermo-bg Trowel Grade CC34, Thermo-lag 330-1 Lot # 9-126009 Average 1.23 0.08 i
File- : C:\HPCHEM\1\ DATA \EM31433A.D Operator : Marti Acquired : 21 Jul 95 4:42 pm using AcqMethod EM31492 Instrument : 5972 - 33 Sample Name: 0595-19a Misc Info : Vial Number: 1 FIGURE 1 Ne TIC: 231433A.D i 3.2e+07J i 3e+07_l 2.8e+07. 2.6e+07. ! l i 2.49+07m
, j !
i l ; 2.2e+07I ; 2e+073 ; a . I 1.8e+074 ' 1 I 1.6e+07 1.4e+07. 3 , I i 1.2e+07. i le+07. ; I f l 8000000J j -
- j i 6000000_
l 4000000 , l l 2000000j ! d I i 1 j' ' i 0 -- M' 'J ' - - N'
- Time-->
i _10!00' 20.00 30.00 l
File : C: \HPCHEM\1\ DATA \f'M31433 A.D Operator : Marti Acquired : 21 Jul 95 4:42 pm using AcqMethod EM31492 Instrument : 5972 - 33 Sample Name: 0595-19a Misc Info : Vial Number: 1 FIGURE 2 - - . - ADuncance lon b5.00 (54.70 to 55.70) : EM31433A.D , j 2.'47 i i a 450000 J ' 4000003 ' 1 350000. i 3000003 l 2500003 l
! 3
! 4
.1 l l j 200000q j l 1 150000J 100000J j 2 58 50000.l 0 - WL U 'I - ~ ~ ~ -- ~ i ; Time--> 1.'00 2.00 3.00 4.00 5.00 Aouncance Ion 69.00 (66.70 to 69.70) : EM31433A.D . 1 4 4500003 ' 400000; 2.59 i 350000g i l 3000004 250000. , 200000 150000. 3 100000 J J a 1 ,1 50000y 1.78 l l 0 bN ~ Time--> 1.'00 2.00 3.00 4.00 5.'00
l
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Infor'mation from D;to Filo: Filo : C:\HPCHEM\1\ DATA \EM31433A.D Op3rator : Marti Acquired : 21 Jul 95 4:42 pm using AcqMethod EM31492 Srmple Name: 0595-19a Mice Info : i Viel Number: 1 Sacrch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 Unknown Spectrum: Apex Integration Params: events.e - - - Pk# RT Area % Library /ID Ref# CAS# Qual 1 0.19 0.15 C:\ DATABASE \NBS75K.L Benzenemethanol, 4-hydroxy . alpha. 68042 000094-07-5 50 2-Ethoxyamphetamine 17481 000000-00-0 40 3-Ethoxyamphetamine 17482 000000-00-0 40 2 1.42 9.32 C:\ DATABASE \NBS75K.L No matches found 3 1.54 3.14 C:\ DATABASE \NBS75K.L No matches found 4 1.78 1.55 C:\ DATABASE \NBS75K.L 2-Propenal, 2-methyl- 62430 000078-85-3 90 2-Butenal, (E)- 214 000123-73-9 87 Furan, 2,5-dihydro- 62434 001708-29-8 86 5 1.94 0.93 C:\ DATABASE \NBS75K.L Furan, 2-methyl- 463 000534-22-5 91 Furan, 2-methyl- 62666 000534-22-5 87 Furan, 2-methyl- 62665 000534-22-5 87 6 2.00 0.99 C:\ DATABASE \NBS75K.L No matches found 7 2.47 0.72 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 87 2-Propenoic acid, ethyl ester 63319 000140-88-5 80 2-Propenoic acid, ethyl ester 63317 000140-88-5 64 8 2.59 1.97 C:\ DATABASE \NBS75K.L 2-Butenoic acid, methyl ester, (E) 1458 000623-43-8 38 2-Butenoic acid, methyl ester, (E) 63312 000623-43-8 37 Cyclopropanecarboxylic acid, methy 1472 002868-37-3 32 9 3.12 0.17 C:\ DATABASE \NBS75K.L No matches found 10 4.51 1.19 C:\ DATABASE \NBS75K.L Pyridine, 3-methyl- 981 000108-99-6 96 Pyridine, 3-methyl- 63045 000108-99-6 95 Pyridine, 3-methyl- 63044 000108-99-6 94 l C:\HPCHEM\1\ DATA \EM31433A.D Mon Jul 24 08:21:31 1995 Page 1
g Pk# 'RT Areat Library /ID Ref# CAS# Qual 11 4.64 0.57 C:\ DATABASE \NBS75K.L Benzene, 1,3-dimethyl- 63697 000108-38-3 90 p-Xylene 63701 000106-42-3 87
- Benzene, 1,2-dimethyl- 63706 000095-47-6 87 12 6.52 1.10 C:\ DATABASE \NBS75K.L Pyridine, 3,5-dimethyl- 2047 000591-22-0 95 ,
Pyridine, 3,4-dimethyl- 2050 000583-58-4 94 Pyridine, 3,4-dimethyl- 63728 000563-58-4 91 i 13 8.04 0.30 C:\ DATABASE \NBS75K.L - - -- Pyridine, 2,3,5-trimethyl- 3839 000695-98-7 91 Pyridine, 2,3,6-trimethyl- 3822 001462-84-6 74 l Pyridine, 2,3,6-trimethyl- 64607 001462-84-6 68 l 14 8.55 0.51 C:\ DATABASE \NBS75K.L . ; Pyridine, 5-ethenyl-2-methyl- 3656 000140-76-1 94 i 4-Aminostyrene 3652 001520-21-4 64 i Bicyclo (4.1. 0] hept-4 -en-3 -ol, 3,7, 10368 004017-81-6 50 ; 15 8.72 1.38 C:\ DATABASE \NBS75K.L Pyridine, 2-methyl , 1-oxide 2205 000931-19-1 50 Phenol, 4-amino- 63816 000123-30-8 50 2,3-Pyridinediamine 2194 000452-58-4 50 i 16 9.41 0.43 C:\ DATABASE \NBS75K.L l 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 91 Benzene, 1-methoxy-4-methyl- 64712 000104-93-8 35 Benzenamine, 2-methoxy- 64732 000090-04-0 30 17 19.51 0.40 C:\ DATABASE \NBS75K.L l Mandelic acid, 3,4-dimethoxy , met 29038 002911-73-1 25 ' Benzenemethanol, 3-phenoxy- 22965 013826-35-2 15 1,l'-Biphenyl, 3-azido- 21582 014213-01-5 15 18 19.84 0.40 C:\ DATABASE \NBS75K.L ' Flavone 28172 000525-82-6 35 7,8-Dihydro-2-methyl (6H)pyrazolo[3 27965 000000-00-0 16 Acetic acid, (4-methoxycyclohexyli 22339 055103-56-5 15 19 20.47 1.09 C:\ DATABASE \NBS75K.L 3-(3-Methoxyphenyl) propionic acid 24861 007116-39-4 32 , Pyridine, 2-ethyl-4,6-dimethyl- 6309 001124-35-2 18 , Benzene, 1-methyl (nitromethyl) - 9997 029559-27-1 14 i 20 20.74 0.21 C:\ DATABASE \NBS75K.L f 4-Pyridinecarboxaldehyde, 3-hydrox 14236 000066-72-8 20 l 4-Amino-2-methyl-5,6-trimethylenep 9460 076881-49-7 18 2,5-Dimethyl-4-phenyl-3-nitrosopyr 22922 075096-70-7 14 21 24.86 0.33 C:\ DATABASE \NBS75K.L 2,5,8,11-Tetraoxatetradecan-13-ol, 36541 020324-34-9 38 2-Propanol, 1- [1-me thyl ( 2 -prope 68438 055956-25-7 38 2-Butanol, 3-methoxy- 1908 053778-72-6 38 - l C:\HPCHEM\1\ DATA \EM31433A.D Mon Jul 24 08:21:51 1995 Page 2 j l
Pk# RT Areat Library /ID Ref# CAS# Qual 22 24.90 0.20 C:\ DATABASE \NBS75K.L 1-Butanol, 3-methoxy- 1922 002517-43-3 35 2-Butanol, 2,3-dimethyl- 63570 000594-60-5 35 2-Propanol, 1- ( 2 -me thoxypropoxy) - 9233 013429-07-7 35 23 24.99 0.33 C:\ DATABASE \NBS75K.L 2-Propanol, 1-methoxy-2-methyl- 1912 003587-64-2 38 1-Methamphetamine 9504 000000-00-0 38 Butane, 2-methoxy-3-methyl- 1791 062016-49-3 35 24 27.03 1.38 C:\ DATABASE \NBS75K.L' - - - Phosphoric acid, triphenyl ester 73338 000115-86-6 99 Phosphoric acid, triphenyl ester 46311 000115-86-6 96 Phosphoric acid, triphenyl ester 73337 000115-86-6 91 25 27.47 51.85 C:\ DATABASE \NBS75K.L . Octicizer 50542 001241-94-7 74 Benz [b] acridine, 1,2,3,4,7,8,9,10- 34157 055044-74-1 23 Benz (c] acridine, 1,2,3,4,8,9,10,11 34155 055044-73-0 23 26 27.59 3.28 C:\ DATABASE \NBS75K.L No matches found 37 27.78 0.43 C:\ DATABASE \NBS75K.L l-Methamphetamine 9504 000000-00-0 43 2-Propanol, 1-[2-(2-methoxy-1-meth 24251 020324-33-8 40 Propane, 1-ethoxy-2-methyl- 1772 000627-02-1 38 28 27.83 0.25 C:\ DATABASE \NBS75K.L 2-Butanol, 3-methoxy- 1908 053778-72-6 46 1-Methamphetamine 9504 000000-00-0 43 Butanamide, 3-methyl- 1621 000541-46-8 43 29 27.90 1.46 C:\ DATABASE \NBS75K.L l-Methamphetamine 9504 000000-00-0 43 2-Propanol, 1 - [2 - ( 2 -me thoxy- 1-meth 24251 020324-33-8 40 Propane, 2-ethoxy-2-methyl- 1790 000637-92-3 38 30 28.07 1.99 C:\ DATABASE \NBS75K.L 2-Propanol, 1, l ' - ( (1-methyl- 1,2 -et 69286 001638-16-0 43 2-Propanol, 1-[2-(2-methoxy-1-meth 24251 020324-33-8 40 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 38 31 28.19 0.06 C:\ DATABASE \NBS75K.L Propane, 1-ethoxy-2-methyl- 1772 000627-02-1 43 2-Propanol, 1-{2-(2-methoxy-1-meth 24251 020324-33-8 40 Oxirane, tetramethyl- 63415 005076-20-0 38 32 30.86 4.31 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 76 33 31.47 5.68 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phospheric acid, tris (methylphenyl 51123 001330-78-5 94 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 91 C:\HPCHEM\1\ DATA \EM31433A.D Mon Jul 24 08:22:08 1995 Page 3
i I Pk# RT Areet Library /ID Ref# CAS# Qual l l l 34 32.08 1.90 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3-methylphen 51124 000563-04-2 98 : Phosphoric acid, tris (methylphenyl 73955 001330-78-5 93 i Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 i i f l l t
- i l
i i , C:\HPCHEM\1\ DATA \EM31433A.D Mon Jul 24 08:22:10 1995 Page 4 l l 1
Area Percent Report -- Sorted by Signal i Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433A.D Operator : Marti Acquired : 21 Jul 95 4:42 pm using AcqMethod EM31492 Scmple Name: 0595-19a Misc Info : -- - - - - Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area %- Ratio % Total Ion Chromatogram 0.185 6163112 0.153 0.295 1.418 374863956 9.319 17.971 1.533 126282587 3.139 6.054 1.778 62324524 1.549 2.988 1.946 37548360 0.933 1.800 2.006 39948511 0.993 1.915 2.465 28921352 0.719 1.387 2.584 79072998 1.966 3.791 3.120 6739984 0.168 0.323 4.503 47938251 1.192 2.298 4.635 23089476 0.574 1.107 6.529 44442782 1.105 2.131 8.037. 12160776 0.302 0.583 8.545 20620769 0.513 0.989 8.716 55684072 1.384 2.670 9.403 17394998 0.432 0.834 19.508 15933691 0.396 0.764 19.843 16252375 0.404 0.779 20.478 43947545 1.093 2.107 20.739 8579237 0.213 0.411 24.857 13150395 0.327 0.630 e 24.903 7892637 0.196 0.378 24.988 13265922 0.330 0.636 27.036 55691114 1.384 2.670 l ^ 27.471 2085910179 51.854 100.000 27.586 131918623 3.279 6.324 27.784 17189262 0.427 0.824 i 27.832 10157083 .0.252 0.487
- j. 27.903 58745753 1.460 2.816 28.071 80079927 1.991 3.839
- 28.192. 2368430 0.059 0.114 30.855 173519749 4.014 8.319 31.465 228305397 5.676 10.945
+- 32.081 76541538 1.903 3.669 i C:\HPCHEM\1\ DATA \EM31433A.D Mon Jul 24 08:24:05 1995 Page 1
1 Area Percent Report.-- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433A.D Operator : Marti Acquired : 21 Jul 95 4:42 pm using AcqMethod EM31492 Semple Name: 0595-19a Misc Info : - - -- i Vial Number: 1 - CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M !
~
Retention' Time- Area Area % Ratio % ! r b i
?
i i i I i 1 I r i i C:\HPCHEM\1\ DATA \EM31433A.D Mon Jul 24 08:24:06'1995 Page 2 ,
)
Icn 55.00 (54.70'to 55.70): EM31433A.D I 0595-19m. I
- Pack # Ret. Time Type Width' Area Start Time End Time l 1 2.466 VV 0.046- 14297092 2.419 2.557 !
2 2;579 VB 0.069 2001062 2.557 2.825. , i I l i i t i 4 f l l e i f f I j i g. i i d ll
Ion 69.00
~*
(68.70 to 6'9.70) : EM31433A.D l 0595-192 l l
'Psck# Ret Time . Type Width Area Start Time End Time l
- 1. 1.783 BB 0.050 957352 1.526 1.893 2 2.585 W 0.046 11152407 2.530 2.817 j
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File : C:\HPCHEM\1\ DATA \EM31433B.D :' Operator. : Marti
- 20 Jul 95 10:13 am using AcqMethod EM31492 Acquired I Instrument : 5972 - 33 Sample Name: 0595-19b :
Misc Info : l Vial Number: 1 ; FIGURE 3 l ADuncance TIC: EM31433B.D - - - - , a I I
!7500000- ,
I
+
7000000- . I 6500000_ i 6000000.i ' I, i 1 ! 5500000J , r i
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- 3500000_ l I
3000000_ 2500000_ . t i' , 2000000 ,
!1500000_ l I
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- 0 y
iTime--> 10.00 '20.00' '30.00 l l i
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File : C:\HPCEEM\1\ DATA \EM31433B.D > ,', Operator : Marti Acquired : 20 Jul 95 10:13 am using AcqMethod EM31492 ; i Instrument : 5972 - 33 Sample Name: 0595-19b Misc Info : Vial Number: 1 FIGURE 4 ! ADuncance lon 55.00 (54.70 to 55.70) : 2314338.D t 2.47 500000j 4 i j : i 400000
; i 1 !
300000.) l 4 l 3 .i i 200000- ! q 100000 _ . j i 2'.58 l . j l 0' t l '{ - kAU l
,ime-->
T 1.00 2.00 3.'00 4.00 5.'00 ADuncance ion 69.00 (66.70 to 69.70) : 231433S.D 500000) i 4 I i 400000 - 2.59 300000. l i 200000 i 1 4 J l ( 100000J l 4 M -- O Time--> 1.00 2.'00 3.00 4.00 5.'00 l l
4 JnformStion from Data Filo: File. : C:\HPCHEM\1\ DATA \EM31433B.D ! Operator : Marti Acquired : 20 Jul 95' 10:13 am using AcqMethod EM31492 t Scmple Name: 0595-19b (i Mice Info : , Vici Number: 1 Sanrch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 Unknown Spectrum: Apex Integration Params: AutoIntegrate , , . _ Pk# RT Areat Library /ID Ref# CAS# Qual 1 1 1.42 13.18 C:\ DATABASE \NBS75K.L No matches found , 2 1.54 3.88 C:\ DATABASE \NBS75K.L No matches found 3 1.94 0.76 C:\ DATABASE \NBS75K.L Furan, 2-methyl- 463 000534-22-5 95 Furan, 2-methyl- 62666 000534-22-5 68 Furan, 2-methyl- 62665 000534-22-5 43 i 4 2.09 1.72 C:\ DATABASE \NBS75K.L No matches found 5 2.19 0.83 C:\ DATABASE \NBS75K.L . No matches found 6 2.47 1.23 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 87 2-Propenoic acid, ethyl ester 1461 000140-88-5 83 2-Propenoic acid, ethyl ester 63319 000140-88-5 72 7 2.59 3.26 C:\ DATABASE \NBS75K.L 2-Butenoic acid, methyl ester, (E) 1458 000623-43-8 43 2-Propenoic acid, 2-methyl , methy 63330 000080-62-6 41 Butane, 1-(ethenyloxy)- 63418 000111-34-2 38 ! i 8 2.78 0.55 C:\ DATABASE \NBS75K.L l No matches found j l 9 2.92 0.48 C:\ DATABASE \NBS75K.L 1,2-Propanediamine 62563 000078-90-0 38 10 2.99 0.45 C:\ DATABASE \NBS75K.L 2-Butanamine 62535 013952-84-6 10 Benzenemethanol, 3-hydroxy . alpha. 14268 000059-42-7 8 11 3.87 0.23 C:\ DATABASE \NBS75K.L No matches found i l C:\HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:54:44 1995 Page 1 l _ = _ - - ._
P.k# RT Arcat Library /ID Ref# CAS# Qual 12 4.53 0.87 C:\ DATABASE \NBS75K.L Pyridine, 3-methyl- 63045 000108-99-6 93 Pyridine, 3-methyl- 981 000108-99-6 90 Pyridine, 3-methyl- 63046 000108-99-6 81 13 4.64' O 52 C:\ DATABASE \NBS75K.L Pyridine, 4-methyl- 980 000108-89-4 60 Pyridine, 3-methyl- 63045 000108-99-6 60 , Pyridine, 3-methyl- 981 000108-99-6 53 l 14 5.06 0.35 C:\ DATABASE \NBS75K.L _ ._ , No matches found ' 15 5.79 0.12 C:\ DATABASE \NBS75K.L No matches found 16 6.56 0.42 C:\ DATABASE \NBS75K.L Pyridine, 3,5-dimethyl- 63720 000591-22-0 96 Pyridine, 3,4-dimethyl- 2050 000583-58-4 95 Pyridine, 2,5-dimethyl- 2046 000589-93-5 94 , 17 8.06 0.11 C:\ DATABASE \NBS75K.L . Pyridine, 2,3,5-trimethyl- 3839 000695-98-7 70 l Benzenamine, 2,6-dimethyl- 64611 000087-62-7 53 l Pyridine, 2,3,6-trimethyl- 3822 001462-84-6 53 7 18 8.36 0.13 C:\ DATABASE \NBS75K.L Pyridine, 3-ethyl-5-methyl- 3821 003999-78-8.70 ' Pyridine, 5-ethyl-2-methyl- 64622 000104-90-5 64 Pyridine, 5-ethyl-2-methyl- 64621 000104-90-5 64 19 8.57 0.15 C:\ DATABASE \NBS75K.L 4 Pyridine, 5-echenyl-2-methyl- 3656 000140-76-1 47 1, 2,4 -Tria zolo [4,3 -al pyridine 3637 000274-80-6 35
- Benzoxazole 64504 000273-53-0 30 ,
20 8.72 1.27 C:\ DATABASE \NBS75K.L Phenol, 4-amino- 2211 000123-30-8 53 2,3-Pyridinediamine 2194 000452-58-4 52 Phenol, 2-amino- 2202 000095-55-6 47 21 9.40 0.42 C:\ DATABASE \NBS75K.L 2 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 91 , l Phenol, 3,5-dimethyl- 3951 000108-68-9 35 ; 5-Dimethylaminopyrimidine 4021 031401-46-4 32 22 9.48 0.20 C:\ DATABASE \NBS75K.L l Benzeneethanamine, N-methyl- 65606 000589-08-2 40 2, 5 -Dime thoxy (me thylsulf onyl) am 38244 000000-00-0 40 , 2,5-Dimethoxy-4-(methylsulfonyl)am 38246 000000-00-0 33 , 23 9.66 0.17 C:\ DATABASE \NBS75K.L 2, 5 - Dime thoxy (me thylsul f onyl) am 38244 000000-00-0 40 4-Methylamphetamine 9505 000000-00-0 36 Amphetamine 65613 000300-62-9 33 , i C:\HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:55:03 1995 Page 2
I Pk# 1CE Arca% Library /ID Ref# CAS# Qual l 24 10.11 0.13 C:\ DATABASE \NBS75K.L 2,5-Dimethoxy-4-(methylsulfonyl)am 38246 000000-00-0 59 2,5-Dimethoxy-4-(methylsulfonyllam 38244 000000-00-0 59 Benzenethanamine,4-methoxy . alpha. 67908 023239-32-9 50 25 10.50 0.18 C:\ DATABASE \NBS75K.L 1,4-Benzenediamine 63757 000106-50-3 64 1H-Pyrrole, 3-ethyl-2,4-dimethyl- 64741 000517-22-6 53 1H-Pyrrole, 3-ethyl-2,5-dimethyl- 4061 069687-78-1 53 26 10.56 0.25 C:\ DATABASE \NBS75K.L _ . _ 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 43 1H-Pyrrole, 3-ethyl-2,4-dimethyl- 4055 000517-22-6 41 1H-Pyrrole, 2-ethyl-3,5-dimethyl- 4057 032990-59-3 38 27 11.49 0.24 C:\ DATABASE \NBS75K.L Pentanedioic acid, 2-methyl , mono 12301 072088-36-9 46 Pentanedioic acid, 3-methyl , dime 68419 019013-37-7 16 1,2,4-Thiadiazole, 5-amino-3-propy 8127 032039-20-6 16 28 11.70 0.10 C:\ DATABASE \NBS75K.L 1-Adamantanemethylamine, . alpha.-m 17503 013392-28-4 38 R-(-)-Cyclohexylethylamine 4792 005913-13-3 38 2-Pentanamine 768 000625-30-9 12 29 12.10 0.33 C:\ DATABASE \NBS75K.L Pentanedioic acid, diethyl ester 19778 000818-38-2 74 Pentanedioic acid, diethyl ester 69156 000818-38-2 59 Pentanedioic acid, diethyl ester 69155 000818-38-2 58 30 12.57 0.15 C:\ DATABASE \NBS75K.L Benzenemethanol, . alpha.-(1-amince 10022 036393-56-3 59 2-Pentanamine 768 000625-30-9 59 e 2-Octanamine 65170 000693-16-3 45 31 13.00 0.24 C:\ DATABASE \NBS75K.L Piperidine, 4-methyl- 63292 000626-58-4 43 Piperidine, 4-methyl- 1421 000626-58-4 43 Piperidine, 1-methyl- 63293 000626-67-5 38 32 15.66 0.08 C:\ DATABASE \NBS75K.L Benzenemethanol, 3-hydroxy . alpha. 68037 000059-42-7 39 33 16.68 0.07 C:\ DATABASE \NBS75K.L 2-Hexen-1-one, 1-(2-hydroxy-5-meth 23838 051956-79-7 47 Benzene, (chloromethyl) pentamethyl 21847 000484-65-1 40 Benzofuran, 5-methoxy-6,7-dimethyl 16722 035355-35-2 40 34 17.35 0.25 C:\ DATABASE \NBS75K.L Phenol, 4 - ( 2, 2, 4 - trimethylpentyl) - 24397 000000-00-0 87 Phenol, 4-(1,1,3,3-tetramethylbuty 24424 000140-66-9 83 Phenol, 4-(1,1,3,3-tetramethylbuty 70047 000140-66-9 80 35 18.76 0.10 C:\ DATABASE \NBS75K.L Pyridine, 3 - (2 -thienyl) - 12681 021298-53-3 30 2H-Imidazo(4,5-b]pyridin-2-one, 1, 6253 016328-62-4 30 Phenol, p-tert-butyl- 9864 000098-54-4 27 C:\HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:55:28 1995 Page 3
P.k# RT Aroc% Library /ID Ref# CAS# Qual i 36 19.41 0.21 C:\ DATABASE \NBS75K.L 3-Methoxyamphetamine 13733 000000-00-0 64 Benzenemethanol, 3-hydroxy . alpha. 68038 000059-42-7 59 , 1-Adamantanemethylamine, . alpha.-m 17503 013392-28-4 38 37 19.51 0.82 C:\ DATABASE \NBS75K.L 1,l'-Biphenyl, 3-azido- 21582 014213-01-5 15
- Benzo [b) thiophene, 2 - (butylthio) - 28074 054965-46-7 15 Benzo [b) thiophene, 3 - (butylthio) - 28072 054965-44-5 15 38 19.84 0.70 C:\ DATABASE \NBS75K.L .
2 1,l'-Biphenyl, 3-azido- . 21582 014213-01-5 15 3-Cyclobutene-1,2-dicarboxylic aci 29065 055673-92-2 15 Flavone 28172 000525-82-6 15 i 39 20.47 2.00 C:\ DATABASE \NBS75K.L 3- (3-Methoxyphenyl) propionic acid 24861 007116-39-4 38 Pyridine, 2-ethyl-4,6-dimethyl- 6309 001124-35-2 18 4 Benzene, 1-methyl (nitromethyl) - 9997 029559-27-1 14 40 20.73 0.52 C:\ DATABASE \NBS75K.L 4-Amino-2-methyl-5,6-trimethylenep 9460 076881-49-7 35 l' 4-Pyridinecarboxaldehyde, 3-hydrox 14236 000066-72-8 25 3- (3-Pyridyl) propenoic acid 9438 001126-74-5 25 i j 41 20.81 0.53 C:\ DATABASE \NBS75K.L p-tert-Amyl phenoxy ethanol 24939 006382-07-6 56 Silanol, trimethyl , benzoate 69391 002078-12-8 45 6H-Purin-6-one, 2- (dimethylamino) - 68656 001445-15-4 45 42 21.34 0.23 C:\ DATABASE \NBS75K.L 3 1 5,9-Methanobenzocycloocten-4 (1H) -o 38853 006244-16-2 47 4 Butylated Hydroxytoluene 70552 000128-37-0 43 7-Phenylisoquinoline 24118 070125-65-4 43 i
- 43 22.02 0.18 C
- \ DATABASE \NBS75K.L p-tert-Amyl phenoxy ethanol 24939 006382-07-6 40 Benzoic acid, 2,4-dimethoxy-6-meth 25297 006110-37-8 38 Stannane, diethyldimethyl,- 24682 004282-05-7 37 I
44 22.12 0.47 C: \ DATABASE \NBS75K.L Stannane, diethyldimethyl- 24682 004282-05-7 43 6H-Purin-6-one. 2- (dimethylamino) - 17389 001445-15-4 27 Dihydroedulan Ia 21365 000000-00-0 25 45 22.25 0.25 C:\ DATABASE \NBS75K.L Acetophenone, 2',4'-dimethoxy-3'-m 21229 060512-80-3 25 6H-Purin-6-one, 2-(dimethylamino)- 17389 001445-15-4 22 Silanol, trimethyl , benzoate 69391 002078-12-8 22 46 22.48 0.48 C:\ DATABASE \NBS75K.L l Phenol, 2,4-bis (1-methylbutyl)- 30771 000096-94-6 32 3-Mercapto-4-phenyl-5-ethyl-1,2,4- 24034 029448-76-8 18 Benzonitrile, 4 - (2 -phenyle thenyl) - 24127 001552-58-5 18 1 2 C:\HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:55:50 1995 Page 4
-. .- - - - ~ . - - - . . _ - ~ . -- - . . - - - - .
Pk# *RT Arcat Library /ID- Ref# CAS# Qual 47 22.59 0.46 C:\ DATABASE \NBS75K.L p-tert-Amyl phenoxy ethanol 24939 006382-07-6 43 6H-Purin-6-one, 2-(dimethylamino)- 17389 001445-15-4 30 Silane, trimethyl (1-phenylethoxy)- 21278 014856-75-8 18 i 48 22.69 0.27 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (methylphenyl 51123 001330-78-5 25 Lup-20 (30) -en-28-oic acid, 19. beta 4 57158 000510-78-1 25 6H-Purin-6-one, 2- (dimethylamino) - 68656 001445-15-4 15 l 49 23.06 0.12 C:\ DATABASE \NBS75K.L ,_ . _ _ . Phenol, 2,4 -bis (1-methylbutyl) - 30771 000096-94-6 32 j Butylated Hydroxytoluene 70550 000128-37-0 27 4 3-Mercapto-4-phenyl-5-ethyl-1,2,4- 24034 029448-76-8 27 t 50 24.29 0.37 C:\ DATABASE \NBS75K.L 41793 '002315-61-9 86 l Ethanol, 2-(2-[4-(1,1,3,3-tetramet l p-Toluidine, N,N-dimethyl . alpha.- 70661 014629-54-0 32 2,4-Imidazolidinedione, 1-methyl-5 36970 006859-11-6 27 i
- 51 24.56 1.47 C:\ DATABASE \NBS75K.L
! Benzene, 1,l',1-(1-(bromomethyl) 53419 055373-93-8 22
- Benzenamine, 4-methyl-2,6-dinitro- 22017 006393-42-6 16 i Vinyltripentylsilane 37411 000000-00-0 12 ,
52 24.73 0.31 C:\ DATABASE \NBS75K.L I Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 86 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 42 Phenol, 4-dodecyl- 36341 000104-43-8 25 i 53 25.36 0.28 C:\ DATABASE \NBS75K.L j Phosphoric acid, tris (3-methylphen 51124 000563-04-2 93 Phosphoric acid, tris (4-methylphen 51126 000078-32-0 81
- Phosphoric acid, tris (methylphenyl 73955 001330-78-5 50
? 54 25.52 0.32 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (methylphenyl 51123 001330-78-5 95 Phosphoric acid, tris (3-methylphen 51124 000563-04-2 94 Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 89 j 55 25.78 1.42 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 91 Phosphoric acid, tris (methylphenyl
' 73955 001330-78-5 25 1,1,1, 5, 7, 7, 7 -Heptame thyl- 3 , 3 -bis ( 56714 038147-00-1 17 l 56 25.86 1.18 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 92 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 56 ; (1H) Isoindole-1,3 (2H) -dione , 2,2'- 51139 000000-00-0 35 57 26.59 0.38 C:\ DATABASE \NBS75K.L 1 Ethanamine, N-methyl-2-((2-methylp 34965 015301-93-6 47
- Epinephrine 18576 000051-43-4 43 ,
', 2-Amino-1-(0-hydroxyphenyl) propane 10018 073470-00-5 43 l 1 C:\HPCHEM\1\ DATA \EM314338.D Thu Jul 20 10:56:12 1995 Page 5 ! i ! 5
-Pk# RT Arcat Library /ID Ref# CAS# Qual 58 27.02 0.23 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 83 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 64 Diphenanthro [9,10-b : 9 ' ,10 ' -d] furan 51195 000000-00-0 50 59 27.33 1.87 C:\ DATABASE \NBS75K.L 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 50 j 2 - (4 -Cyanophenyl) dime thylaminom 34091 000000-00-0 47 Octicizer 50542 001241-94-7 25 60 27.50 0.89 C:\ DATABASE \NBS75K.L _ _ -
Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 97 i Phosphoric acid, tris (methylphenyl 73955 001330-78-5 55 l Diphenanthro (9,10 -b : 9 ' ,10 ' -d] f uran 51195 000000-00-0 45 61 27.66 0.74 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3-methylphen 51124 000563-04-2 96 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 89 , Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 49 1 62 30.87 10.58 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 90 63 31.51 18.92 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen '51124 000563-04-2 99 I Phosphoric acid, tris (methylphenyl 51123 001330-78-5 94 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 91 1 64 31.94 0.18 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (methylphenyl 51123 001330-78-5 94 Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 92 Phenothiaphosphine, 2,8-dimethyl-1 51105 023861-49-6 49 1 65 32.15 10.60 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 98 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 93 Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 91 66 32.30 0.07 C:\ DATABASE \NBS75K.L 2-Propanol, 1-[2-(2-methoxy-1-meth 24251 020324-33-8 37 2-Propanol, 1-methoxy-2-methyl- 1912 003587-64-2 35 Butane, 2-methoxy-3-methyl- 1791 062016-49-3 35 67 32.42 0.20 C:\ DATABASE \NBS75K.L Dodecanamide 22660 001120-16-7 22 Phenylpropanolamine 66860 000492-41-1 22 3-Propoxyamphetamine 21000 000000-00-0 18 68 32.79 4.02 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (4 -me thylphen 51126 000078-32-0 98 Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 84 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 58 C:\HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:56:30 1995 Page 6 i
Pk# 'RT Areat Library /ID Ref# CAS# Qual 69 33.02 2.51 C:\ DATABASE \NBS75K.L 2-Propanol, 1- (2 -methoxypropoxy) - 9233 013429-07-7 43 Butanamide, 3-methyl- 1621 000541-46-8 43 Butane, 2-methoxy- 854 006795-87-5 43 70 33.14 0.56 C:\ DATABASE \NBS75K.L 2-Propanol, 1-[2-(2-methoxy-1-meth 24251 020324-33-8 50 Propane, 1-ethoxy-2-methyl- 1772 000627-02-1 46 3utane, 2-methoxy-3-methyl- 1791 062016-49-3 43 71 33.20 0.78 C:\ DATABASE \NBS75K.L- - - -- Butane, 2-methoxy-3-methyl- 1791 062016-49-3 43 Diazene, (1-(2,2-dimethylhydrazino 15672 061940-94-1 43 2,5,8,11,14-Pentaoxapentadecane 28004 000143-24-8 43 72 33.31 1.12 C:\ DATABASE \NBS75K.L , 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 43 2-Pentanol, 2-methyl- 63532 000590-36-3 43 Butanamide, 3-methyl- 1621 000541-46-8 43 73 37.68 0.25 C:\ DATABASE \NBS75K.L 2-Pentanamine 768 000625-30-9 53 2-Butanamine, (S) - 301 000513-49-5 53 2-Pentanamine, 4-methyl- 1648 000108-09-8 53 1 l j ' l l i C:\HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:56:39 1995 Page 7
Area Percent Report -- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433B.D Opsrator : Marti Acquired : 20 Jul 95 10:13 am using AcqMethod EM31492 Sample Name: 0595-19b - -- Micc Info : - Viel Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % Total Ion Chromatogram 1.418 308464963 13.182 69.665 1.543 90803495 3.880 20.508 1.948 17891320 0.765 4.041 2.085 40210163 1.718 9.081 2.188 20667000 0.883 4.668 2.465 28888419 1.234 6.524 2.585 76192556 3.256 17.208 2.782 12798068 0.547 2.890 2.916 11182812 0.478 2.526 2.988 10560716 0.451 2.385 3.874 5328288 0.228 1.203 4.527 20340603 0.869 4.594 4.632 12263347 0.524 2.770 5.058 8091562 0.346 1.827 5.797 2750675 0.118 0.621 6.557 9814744 0.419 2.217 8.060 2589791 0.111 0.585 8.357 3134827 0.134 0.708 8.576 3547529 0.152 0.801 8.721 29778891 1.273 6.725 9.401 9884900 0.422 2.232 9.482 4735231 0.202 1.069 9.653 3911807 0.167 0.883 10.116 3049663 0.130 0.689 10.501 4168885 0.178 0.942 10.563 5882327 0.251 1.328 11.491 5628202 0.241 1.271 11.694 2333014 0.100 0.527 12.098 7809230 0.334 1.764 12.567 3482450 0.149 0.786 12.992 5709850 0.244 1.290 15.654 1809975 0.077 0.409 16.677 1629371 0.070 0.368 17.344 5800708 0.248 1.310 18.761 2233520 0.095 0.504 C:\HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:54:22 1995 Page 1 i b
Area Percent Report -- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433B.D Operator : Marti Acquired : 20 Jul 95 10:13 am using AcqMethod EM31492 Scmple Name: 0595-19b - - Mice Info : - Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % 19.406 5003124 0.214 1.130 19.504 19141459 0.818 4.323 19.840 16299794 0.697 3.681 20.475 46793320 2.000 '.0.568 20.737 12258836 0.524 2.769 20.804 12423319 0.531 2.806 21.338 5407970 0.231 1.221 22.020 4303299 0.184 0.972 22.121 10896704 0.466 2.461 22.244 5768374 0.247 1.303 1 22.476 11308486 0.483 2.554 22.597 10785966 0.461 2.436 22.689 6292474 0.269 1.421 23.062 2889753 0.123 0.653
- 24.290 8772679 0.375 1.981 24.558 34376371 1.469 7.764 24.735 7257113 0.310 1.639 25.357 6482945 0.277 1.464 25.520 7577948 0.324 1.711 25.774 33148338 1.417 7.486 25.863 27568509 1.178 6.226 26.587 9005167 0.385 2.034 27.019 5357972 0.229 1.210 27.328 43735163 1.869 9.877 27.501 20877007 0.892 4.715 27.668 17403104 0.744 3.930 30.865 247491050 10.576 55.895 31.513 442781863 18.922 100.000 31.944 4320567 0.185 0.976 32.141 248105128 10.602 56.033 32.298 1605583 0.069 0.363 32.418 4697059 0.201 1.061 32.795 94186443 4.025 21.272 33.017 58810760 2.S13 13.282 33.134 13182916 0.563 2.977 33.201 18238115 0.779 4.119 C
- \HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:54:24 1995 Page 2
Area Percent Report -- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433B.D Operator : Marti Acquired : 20 Jul 95 10:13 am using AcqMethod EM31492 Scmple Name: 0595-19b - ~ ~ ~ Misc Info : Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % 33.320 26263203 1.122 5.931 37.678 5911345 0.253 1.335 C:\HPCHEM\1\ DATA \EM31433B.D Thu Jul 20 10:54:26 1995 Page 3
Ion 55,.00 (54.70 to 55.70) : EM31433B.D 0595-19b Pack # Ret Time Type Width Area Start Time End Tima 1 2.466 BV 0.043 14015003 2.407 2.556 , 2 2.584 VB 0.058 1756407 2.556 2.804 O
Ion 69. 00 (68.70 to 69.70): EM31433B.D 0595-19b Pock # Ret Time Type Width Area Start Time End Time 1 2.586 BV 0.044 10729132 2.298 2.795
* - e- m 9
V J W 1 1
A i File : C:\HPCHEM\1\ DATA \EM31433C.D
., Operator : Marti Acquired : '20 Jul 95 12:44 pm using AcqMethod EM31492 ,
Instrument : 5972 - 33 Sample Name: 0595-19c , Misc Info : Vial Number: 1 , FIGURE 5 t Abirndance TIC: EM31433C.D - - -- i i
+
l 1 I i - i
'7500000 ,
i i l 7000000J ' l 6500000. i 6000000-
) +
.'5500000q l 4
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l 2 i i 4500000 l 4 4000000 l i : 1 4 3500000_ , I 3000000_ 1 f f , < 2500000_ ,
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- 2000000 ,i 1500000]'
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'l Time-->
l l J i 4
t , .. i d File : C:\HPCHEM\1\ DATA \EM31433C.D ]- Operator _ : Marti t 1 Acquired : 20 Jul 95 12:44 pm using AcqMethod EM31492 l Instrument : 5972 - 33 ! Sample Name: 0595-19c Misc Info : i
' Vial' Number: 1 1 1
1 . i Ab M ance lon 55.00 5 t -55.70): EM31433C.D , 2 2.j47 ; i ( i l 200000a ! J i ! ?, {
; i.
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! j l !
I : i . l
, 100000 !
1 i i i. I 50000J i ; I 2258 . 3 i l <
- I i ; +
i l i l l ok -
-d 3.,00 f
, Time--> 1.00 2.00 '4.'00 5.00 ;
69.00 (68.70 to 69.70): EM3T433c.D AbHiidance Ion ' 200000 l i 2.59 I l
! I i 1
l 1 i 150000 l . i 100000- I
, 4 i
i !
;- 50000 ;1 i k
)i :
< 1 l l 01- -
- ^ - _ . _' ~- w-
, Time--> 1.'00' 2.'00 3.'00 '4.'00 5.00
Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433C.D Oparctor : Marti Acquired : 20 Jul 95 12:44 pm using AcqMethod EM31492 Scmple Name: 0595-19c Misc Info : Vial Number: 1 Scarch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 Unknown Spectrum: Apex Integration Params: AutoIntegrate , _ Pk# RT Areat Library /ID Ref# CAS# Qual 1 1.42 15.72 C:\ DATABASE \NBS75K.L No matches found . 2 1.55 4.91 C:\ DATABASE \NBS75K.L No matches found 3 1.94 0.54 C:\ DATABASE \NBS75K.L Furan, 2-methyl- 463 000534-22-5 70 Furan, 3-methyl- 464 000930-27-8 53 Furan, 2-methyl- 62665 000534-22-5 47 4 2.47 0.66 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 81 2-Propenoic acid, ethyl ester 1461 000140-88-5 74 2-Propenoic acid, ethyl ester 63317 000140-88-5 64 5 2.59 2.88 C:\ DATABASE \NBS75K.L 2-Propenoic acid, 2-methyl , methy 63330 000080-62-6 49 2-Propenoic acid, 2-methyl , methy 1484 000080-62-6 49 2-Propenoic acid, 2-methyl , methy 63329 000080-62-6 47 6 3.02 0.10 C:\ DATABASE \NBS75K.L Pyridine 62633 000110-86-1 55 Pyridine 62632 000110-86-1 55 Pyridine 62631 000110-86-1 46 7 4.54 1.03 C:\ DATABASE \NBS75K.L Pyridine, 3-methyl- 981 000108-99-6 95 Pyridine, 3-methyl- 63044 000108-99-6 94 Pyridine, 3-methyl- 63045 000108-99-6 94 8 6.58 0.38 C:\ DATABASE \NBS75K.L Pyridine, 3,5-dimethyl- 2047 000591-22-0 93 Pyridine, 2,5-dimethyl- 2046 000589-93-5 92 Pyridine, 3,4-dimethyl- 2050 000583-58-4 87 9 8.79 0.94 C:\ DATABASE \NBS75K.L 3,4-Pyridinediamine 2193 000054-96-6 53 2,6-Pyridinediamine 63811 000141-86-6 50 Pyridine, 4-methoxy- 2201 000620-08-6 47 C:\HPCHEM\1\ DATA \EM31433C.D Thu Jul 20 13:26:04 1995 Page 1
)
Pk# itt Arcat Library /ID Ref# CAS# Qual 10 9.41 0.27 C:\ DATABASE \NBS75K.L 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 93 Glycine, 2-(m-hydroxyphenyl) , DL- 14232 007292-76-4 38
< Benzene, 1-methoxy-4-methyl- 64712 000104-93-8 35 11 11.49 0.17 C:\ DATABASE \NBS75K.L Pentanedioic acid, 2-methyl , mono 12301 072088-36-9 38 Pentanedioic acid, 3-methyl , dime 16108 019013-37-7 35 Cyclohexanecarboxylic acid 65020 000098-89-5 22 12 12.10 0.25 C:\ DATABASE \NBS75K.L ^ ~ ~
Pentanedioic acid, diethyl ester 19'778 000818-38-2 64 Pentanedioic acid, diethyl ester 69156 000818-38-2 50 Pentanedioic acid, diethyl ester 69155 000818-38-2 47 13 13.00 0.16 C:\ DATABASE \NBS75K.L ' Vinyldichlorosilane 4361 000000-00-0 37 Piperidine, 4-methyl- 63292 000626-58-4 35 Piperidine, 4-methyl- 1421 000626-58-4 35 14 19.51 0.49 C:\ DATABASE \NBS75K.L Benzo [blthiophene, 3 - (butylthio) - 28072 054965-44-5 25 Benzo [b] thiophene , 3 - (hexylthio) - 33912 055044-61-6 25 Benzaldehyde, 2,4-dimethoxy- 13932 000613-45-6 22 15 19.84 0.48 C:\ DATABASE \NBS75K.L Phenol, 2 - ( 2 -quinoxalinyl) - 28139 017392-20-0 25 Quinazoline, 4-phenyl , 1-oxide 28137 004015-36-5 22 Flavone 28172 000525-82-6 20 16 20.47 1.23 C:\ DATABASE \NBS75K.L Benzene, 1-methyl-4-(nitromethyl)- 9997 029559-27-1 14 Pyridine, 2-ethyl-4,6-dimethyl- 6309 001124-35-2 14 Pyridine, 2,6-diethyl- 6323 000935-28-4 14 17 20.74 0.39 C:\ DATABASE \NBS75K.L ' 4-Pyridinecarboxaldehyde, 3-hydrox 14236 000066-72-8 20 9435 005466-88-6 18 2H-1,4 -Benzoxazin-3 (4H) -one 1H-Purin-6-amine, N-methyl- 66644 000443-72-1 14 l 18 20.81 0.34 C:\ DATABASE \NBS75K.L 2',4'-Dimethoxy-3'-methylpropiophe 24862 077942-13-3 43 p-tert-Amyl phenoxy ethanol 24939 006382-07-6 42 Ethanol, 2-{4-(1,1-dimethylethyl)p 21346 000713-46-2 38 ; 19 21.34 0.18 C:\ DATABASE \NBS75K.L Phenol, 4,6-di(1,1-dimethylethyl) - 27703 000616-55-7 43 Butylated Hydroxytoluene 70556 000128-37-0 38 Butylated Hydroxytoluene 70555 000128-37-0 38 20 24.29 0.21 C:\ DATABASE \NBS75K.L Ethanol, 2-{2-[4-(1,1,3,3-tetramet 41793 002315-61-9 90 Pyrrolo [1,2 -al -1, 3, 5 -triazine ca 28303 054449-89-7 53 > 6-(Methylamino)phenanthren-3-ol 28427 098033-23-9 25 C:\HPCHEM\1\ DATA \EM31433C.D Thu Jul 20 13:26:27 1995 Page 2
,Pk# RT Areat Library /ID Ref# CAS# Qual 21 27.02 0.21 C:\ DATABASE \NBS75K.L Phosphoric acid, triphenyl ester 73338 000115-86-6 98 Phosphoric acid, triphenyl ester 73337 000115-86-6 64 Phosphoric acid, triphenyl ester 46311 000115-86-6 62 22 27.33 1.50 C:\ DATABASE \NBS75K.L 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 50 Octicizer 50542 001241-94-7 49 2 - ( 4 - Cyanophe nyl ) dime t hyl aminom 34091 000000-00-0 40 23 28.04 1.55 C:\ DATABASE \NBS75K.L ~
1-Propanol, 2 - ( 2 -me thoxypropoxy) - ~9 32 013588-28-8 47 Propanoic acid, 2-hydroxy-2-methyl 5790 000080-55-7 47 2-Propanol, 1 - [1-me thyl ( 2 -prope 68438 055956-25-7 3B
. 24 28.22 0.91 C:\ DATABASE \NBS75K.L Propanoic acid, 2-hydroxy-2-methyl 5790 000080-55-7 43 2-Butanol, 3-methoxy- 1908 053778-72-6 38 1-Propanol, 2 - ( 2 -methoxypropoxy) - 9232 013588-28-8 37 25 30.88 14.47 C:\ DATABASE \NBS75K.L Phosphoric acid, _ tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 90 26 31.30 0.33 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 97 Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 70 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 70 27 31.51 25.09 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 95 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 91 28 31.63 0.48 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 58 Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 25 Benzene, (2-ethoxyethyl)- 9794 001817-90-9 25 29 31.94 0.28 C:\ DATABASE \NBS75K.L Sarpagan-16-carboxylic acid, 3,17- 52356 053632-75-0 25 Bikaverin 52326 033390-21-5 11 2-Propanol, 1-(1-methyl-2-(2-prope 16196 055956-25-7 10 30 32.13 11.88 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 98 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 93 Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 91 31 32.29 0.40 C:\ DATABASE \NBS75K.L 1-Propanol, 2-(2-methoxypropoxy)- 9232 013588-28-8 22 l Oxirane, tetramethyl- 1579 005076-20-0 18 3-Ethyl-2-methyl-2-pentanol 5501 000000-00-0 14 C:\HPCHEM\1\ DATA \EM31433C.D Thu Jul 20 13:26:45 1995 Page 3 i !
Pk# 'RT Areat Library /ID Ref# CAS# Qual 32 32.43 0.62 C:\ DATABASE \NBS75K.L 2, 4 , 6, 8, 9,10 -Hexathiatricyclo [3 . 3 . 50037 057274-38-1 27 Propanoic acid, 2-hydroxy-2-methyl 5790 000080-55-7 27 l Pentane, 2-methoxy- 1778 006795-88-6 18 ' 33 32.52 0.49 C:\ DATABASE \NBS75K.L 1-Propanol, 2- (2-methoxypropoxy) - 9232 013588-28-8 37 2,5,8,11-Tetraoxatetradecan-13-ol, 36541 020324-34-9 37 2,5,8,11,14-Pentaoxapentadecane 70591 000143-24-8 27 34 32.80 4.15 C:\ DATABASE \NBS75K.L - ~ Phosphoric acid, tris (4-methylphen 55126 000078-32-0 95 Phenothiaphosphine, 2,8-dimethyl-1 51105 023861-49-6 83 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 49 35 32.92 0.61 C:\ DATABASE \NBS75K.L ' 2-Propanol, 1- ( 2 -methoxypropoxy) - 9233 013429-07-7 43 2,3-Butanediol, 2,3-dimethyl- 3526 000076-09-5 43 Propane, 2-methoxy- 332 000598-53-8 43 36 33.02 1.64 C:\ DATABASE \NBS75K.L i 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 43 2,3-Butanediol, 2,3-dimethyl- 3526 000076-09-5 43 [ 1-Methamphetamine 9504 000000-00-0 43 37 33.20 4.03 C:\ DATABASE \NBS75K.L Propanoic acid, 2-hydroxy-2-methyl 5790 000080-55-7 43 2-Propanol, 1, l ' - [ ( 1 - me t hyl - 1, 2 - e t 69286 001638-16-0 35 Pentane, 2-methoxy- 1778 006795-88-6 30 l i 4 l l C:\HPCHEM\1\ DATA \EM31433C.D Thu Jul 20 13:26:58 1995 Page 4 I l l
. . ~ . - . .. . ._~ _ _ . . - . .-- - - - . .
Area Percent Report -- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433C.D Oparator : Marti Acquired : 20 Jul'95 12:44 pm using AcqMethod EM31492 Stmple Name: 0595-19c Misc Info : _ . __ Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % Total Ion Chromatogram , 1.413 286400223 15.725 62.664 ; 1.549 89394555 4.908 19.559 1.948 9844895 0.541 2.154 2.469 12022407 0.660 2.630 , 2.585 52504483 2.883 11.488 ! 3.017 1760137 0.097 0.385 . 4.546 18813749 1.033 4.116 6.584 6999810 0.384 1.532 I 8.783 17137504 0.941 3.750 9.405 4922009 0.270 1.077 11.494 3183056 0.175 0.696 1 12.101 4630889 0.254 1.013 12.995 2984941 0.164 0.653 19.506 8979798 0.493 1.965 19.842 8749159 0.480 1.914 20.473 22320983 1.226 4.884 20.739 7149723 0.393 1.564 20.804 6262520 0.344 1.370 , 21.342 3239067 0.178 0.709 24.288 3761610 0.207 0.823 i 27.019 3854377 0.212 0.843 27.329 27275684 1.498 5.968 28.044 28312447 1.555 6.195 28.221 16569141 0.910 3.625 , 30.878 263570633 14.471 57.669 31.301 6072617 0.333 1.329 . 31.518 457043107 25.094 100.000 { 31.635 8696299 0.477 1.903 i 31.941 5152491 0.283 1.127 { 32.138 216307750 11.876 47.328 32.293 7349580 0.404 1.608 > 32.429 11233070 0.617 2.458 32.521 8840735 0.485 1.934 l 32.798 75574122 4.149 16.535 i 32.926 11148061 0.612 2.439-1 C:\HPCHEM\1\ DATA \EM31433C.D Thu Jul 20 13:25:43 1995 Page 1 i
Area Percent Report -- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433C.D Operator : Marti Acquired : 20 Jul 95 12:44 pm using AcqMethod EM31492 Sample Name: 0595-19c Misc Info : ._ . _ . _ Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M
~
Retention Time Area Area t Ratio % 33.022 29872343 1.640 6.536 33.197 73386349 4.029 16.057 4 i i i C:\HPCHEM\1\ DATA \EM31433C.D Thu Jul 20 13:25:44 1995 Page 2
. ~ . . . - - _- _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ . _ _ _ _ _ _ _ _ _ _ . _ _ _ _ . . _ _ . _ _ .-
Ion 55.00 (54.70 to.55.70): EM31433C.D
. 0595-19c Pack #' Ret Time Type . Width Area Start Time- End Time 1 2.469 'PV 0.053 7757019. 2.415 2.569
~2 2.582- VV 0.076 1627645 2.569 2.844-5 9
f i i i I . l ! I f 4 i i I i > f
Ion 69.00
-(68.70 to 69.70) : .EM31433C.D.
. 0595-19c
{ Pack #- Ret Time Type Width Area Start Time. End Time 1 2.588 BV 0.052 6707429 2.378 2.816 t
. ,. ~ . . _ _ . . .. . . . ~ . . - - . . - . . . . - . - . - . - . - . . . . . . . . .
- o File
- C:\HPCHEM\1\ DATA \EM31433D.D Operator : Marti Acquired : 20 Jul 95 2:20 pm using AcqMethod EM31492 Instrument : 5972 - 33 Sample Name: 0595-19d Misc Info :
Vial Number: 1 FIGURE 7 - Aoundance tic: EM314330.0 . __ i 1.7e+07d
}4 1.6e+07]
i 1.5e+07. i i 1.4e+07 ; i 1.3e+07. I
,1.2e+07 ;
, }
1.le+07] t t le+07 ; 9000000: i 4 i 8000000_ ! 1 [70000003 3 6000000- a f 5000000a 4 4000000 i I 3000000- ; 4 i 2000000 ! f 10000002 I p J > 0 d i -a it i -- I' w* -J ' Time--> 10.00 -20.00 30.00
1 File : C:\HPCHEM\1\ DATA \EM31433D.D Operator : Marti Acquired : 20 Jul 95 2:20 pm using AcqMethod EM31492 i Instrument : 5972 - 33 Sample Name: 0595-19d Misc Info : Vial Number: 1 FIG AbTndance Ion 55.00 (54. O o 55 . 70 ) : , EMT143 3 D . D , 350000 q 2.46 l 1 : i 1 . l 300000' I 250000_ 200000_ . t 150000 , l i !
! 100000i
! i i i 50000i 3.53 2 0 -
-- \-
Time--> 1.00 2.00 3.00 4.'00 5.00 KBUndance Ion 69.00 (68.70 to 69.70): EM31433D.D 350000y l 3000001 2.58 250000j l i 200000 1 !
- l. iI j_ r '
150000_ 100000] i 50000. .
. it l
. t-0 & J -
^ms
. ["ime - - > - 1.'00 2.'00. 3.00 4.00 '5.00
Information from D2tc File: ' ( File : C:\HPCHEM\1\ DATA \EM31433D.D Oparator : Marti Acquired : 20 Jul 95 2:20 pm using AcqMethod EM31492 Sample Name: 0595-19d
. Mice Info .
Viel Number: 1 r Sanrch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 Unknown Spectrum: Apex Integration Params: AutoIntegrate , , ._ Pk# RT Areat Library /ID Ref# CAS# Qual 1 1.40 15.44 C:\ DATABASE \NBS75K.L l No matches found , j 2 1.54 5.42 C:\ DATABASE \NBS75K.L No matches found 3 2.13 0.26 C:\ DATABASE \NBS75K.L Urea, trimethyl- 1683 000632-14-4 42 5,6-Dihydro-2,4,6-trimethyl-4H-1,3 13096 000638-17-5 36 4 2.47 0.90 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 91 2-Propenoic acid, ethyl ester 63319 000140-88-5 83 2-Propenoic acid, ethyl ester 1461 000140-88-5 80 5 2.58 2.97 C:\ DATABASE \NBS75K.L 2-Butenoic acid, methyl ester, (E) 1458 000623-43-8 47 2-Propenoic acid, 2-methyl , methy 1484 000080-62-6 46 2-Propenoic acid, 2-methyl , methy 63329 000080-62-6 45 6 4.55 0.71 C:\ DATABASE \NBS75K.L Pyridine, 3-methyl- 981 000108-99-6 91 Pyridine, 3-methyl- 63045 000108-99-6 91 Pyridine, 3-methyl- 63044 000108-99-6 87 7 19.50 0.57 C:\ DATABASE \NBS75K.L 2-Diethylamino-6,7-dihydro-4-oxo-4 34033 081287-24-3 15 1,l'-Biphenyl, 3-azido- 21582 014213-01-5 11 1H-Purine-2,6-dione, 1,7-diethyl-2 28002 054889-96-2 11 8 19.84 0.53 C:\ DATABASE \NBS75K.L 1H-Purine-2,6-dione, 3,7-diethyl-3 28003 053432-05-6 25 Acetic acid, (4-methoxycyclohexyli 22339 055103-56-5 25 Flavone 28172 000525-82-6 25 9 20.47 1.54 C:\ DATABASE \NBS75K.L Acetic acid, (4-formylphenoxy) , e 24812 051264-69-8 14 Pyridine, 2,6-diethyl- 6323 000935-28-4 14 3-Pyridinecarbonitrile, 1,4-dihydr 6098 000767-98-6 14 C:\HPCHEM\1\ DATA \EM31433D.D Thu Jul 20 15:02:23 1995 Page 1 L.. . - _ _ _ . . - _ _ _ _ _ _ _ _ _ _ _ _ . _ _ _ _ _ . _ _ _ _ _ . _ _ _ _ _ _ _ - . _ _ _ . _ _ _ . _ _ _ _ _ _ _ _ . _ _ _ _ _ _ _ _ _ _ - _ _ . _ _ _ . _ . _ . _ _ _ _ . _ _ _ _ _ _ _ . _ _ _ _ _ _ _ _ _ - _ _ _ _ _ _ . _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ . _
Pk# RT Arcat Library /ID Ref# CAS# Qual 10 20.73 0.36 C:\ DATABASE \NBS75K.L 4-Pyridinecarboxaldehyde, 3-hydrox 14236 000066-72-8 20 1H-Purin-6-amine, N-methyl- 66644 000443-72-1 14 2-Ethylformanilide 9474 002860-30-2 14 1 11 22.04 0.23 C:\ DATABASE \NBS75K.L l Octicizer 50542 001241-94-7 55 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 43 Benzenamine, ar,ar-dibromo- 33621 050307-05-6 23 ) i 0.77 C:\ DATABASE \NBS75K.L 12 23.61 - Phosphoric acid, tris (methylphenyl 51123 001330-78-5 50 ; Octicizer 50542 001241-94-7 43 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 38 13 27.02 1.46 C:\ DATABASE \NBS75K.L . Phosphoric acid, triphenyl ester 73338 000115-86-6 99 Phosphoric acid, triphenyl ester 73337 000115-86-6 89 Phosphoric acid, triphenyl ester 46311 000115-86-6 87 14 27.39 38.50 C:\ DATABASE \NBS75K.L Octicizer 50542 001241-94-7 90 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 50 2 - ( 4 - Cyanophe nyl ) dimethylaminom 34091 000000-00-0 50 15 27.57 1.63 C:\ DATABASE \NBS75K.L No matches found 16 27.89 1.64 C:\ DATABASE \NBS75K.L l-Methamphetamine 9504 000000-00-0 43 2-Propanol, 1 - [2 - ( 2 -methoxy- 1-me th 24251 020324-33-8 40 1-Propanol, 2-(2-methoxy-1-methyle 9239 055956-21-3 40 17 27.97 0.68 C:\ DATABASE \NBS75K.L l-Methamphetamine 9504 000000-00-0 43 2-Propanol, 1 - [ 2 - ( 2 -me thoxy- 1 -met h 24251 020324-33-8 40 1-Propanol, 2-(2-methoxy-1-methyle 9239 055956-21-3 40 18 28.05 1.29 C:\ DATABASE \NBS75K.L l-Methamphetamine 9504 000000-00-0 43 2-Propanol, 1,l'-((1-methyl-1,2-et 69286 001638-16-0 43 2-Propanol, 1-(2-(2-methoxy-1-meth 24251 020324-33-8 40 19 30.84 9.21 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 93 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 20 31.46 11.96 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 95 Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 86 21 32.07 3.92 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 94 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 93 C:\HPCHEM\1\ DATA \EM31433D.D Thu Jul 20 15:02:42 1995 Page 2
Area Percent Report -- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433D.D Op;rator : Marti Acquired : 20 Jul 95 2:20 pm using AcqMethod EM31492 Scmple Name: 0595-19d - - ~- Misc Info : Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % Total Ion Chromatogram 1.410 254233217 15.440 40.104 1.540 89318406 5.424 14.089 2.138 4207483 0.256 0.664 2.463 14868329 0.903 2.345 2.581- 48949511 2.973 7.722 4.553 11674843 0.709 1.842 19.506 9400724 0.571 1.483 19.841 8662719 0.526 1.366 20.474 25362860 1.540 4.001 20.739 5960138 0.362 0.940 22.049 3768421 0.229 0.594 23.610 12616877 0.766 1.990 27.022 24039342 1.460 3.792 27.390 633936537 38.500 100.000 27.560 26904487 1.634 4.244 27.886 27040671 1.642 4.266 27.974 11166594 0.678 1.761 28.055 21317878 1.295 3.363 30.848 151700159 9.213 23.930 31.460 196918574 11.959 31.063 32.078 64554140 3.920 10.183 4 I C:\HPCHEM\1\ DATA \EM31433D.D Thu Jul 20 15:02:02 1995 Page 1
Ioq 55 00 (54.70 to 55.70): EM31433D.D
- 0595-19d Pack # Ret Time Type Width Area Start Time End Time 1 2.464 BV 0.039 8350240 2.415 2.552 2 3.534 VV 0.035 761027 3.477 3.600 4
8 1 4 e
Ion 69.00 (68.70 to 69.70) : EM31433D.D 0595-19d Pank# Ret Time Type Width Area Start Time End Time l' 1 2.584 BB 0.042 7541446 2.435 2.852 l
l File : C:\HPCHEM\1\ DATA \EM31433E.D
, Operator : Marti Acquired : 20 Jul 95 4:04 pm using AcqMethod EM31492 Instrument : 5972 - 33 i Sample Name: 0595-19e !
Misc Info : Vial Number: 1 FIGIIRR 9 ' Abuncance TIC: EM31433E.D j i i 6500000 , j 6000000- , 5500000-5000000. f4500000'_ l : 4000000 , 3500000 3000000_ . 2500000. 2000000. 3 1500000y j i t 1000000 ; 500000 l 1, ! d' d
- f' '
'i
' '& * ' l O
- hime--> 10.00 20.00 30.00
. -_ ~ - . - .
- - . .. ...-_ -_-. _. .. .-. . _ _ - - = . - - _ ..
File. , : C:\HPCHEM\1\ DATA \EM31433E.D ' , Operator : Marti Acquired : 20 Jul 95 4:04 pm using AcqMethod EM31492 Instrument : 5972 - 33
-Sample Name: 0595-19e Misc Info :
. Vial Number: 1 FIGURE 10.
Abundance Ion 55. 00 (54. 7C- to 55.70): EM31433E.D 5000004 2.%7 - I ' i 400000_ l l i i 300000_ i ; . 200000 - t i j - i
, . i i !
s t ! , i 100000 l i 2iS8 , 0 -- A^ ^ - - p'ime - - > 1.'00 2.'00 3.00 4.'00 5.'00 ADuncance Ion 69.00 (68.70 to 69.70) : EM31433E.D ' SC0000-I 400000- 2.59 300000. I I l 200000. i 100000. I I l O , y 1 ('- ^- i
- Time-->. 1.00 2.00 _ 3.00 4.'00 5.00 l
I knformationfromDOtcFilo. File : C:\HPCHEM\1\ DATA \EM31433E.D oporator : Marti Acquired : 20 Jul 95 4:04 pm using AcqMethod EM31492 S mple Name: 0595-19e , Micc Info : Viel Number: 1 S;nrch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 Unknown Spectrum: Apex ~ ~ ' ~ Integration Params: AutoIntegrate Pk# RT Areat Library /ID Ref# CAS# Qual 1 1.42 22.23 C:\ DATABASE \NBS75K.L No matches found 2 1.55 4.87 C:\ DATABASE \NBS75K.L No matches found 3 1.79 1.32 C:\ DATABASE \NBS75K.L 2-Butenal 62440 004170-30-3 90 2-Propenal, 2-methyl- 62430 000078-85-3 87 Furan, 2,3-dihydro- 62438 001191-99-7 86 4 1.94 1.86 C:\ DATABASE \NBS75K.L Furan, 2-methyl- 463 000534-22-5 94 Furan, 2-methyl- 62666 000534-22-5 87 Furan, 2-methyl- 62665 000534-22-5 86 5 2.47 2.18 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 91 2-Propenoic acid, ethyl ester 1461 000140-88-5 87 2-Propenoic acid, ethyl ester 63319 000140-88-5 83 6 2.58 5.80 C:\ DATABASE \NBS75K.L 2-Butenoic acid, methyl ester, (E) 1458 000623-43-8 53 2-Propenoic acid, 2-methyl , methy 1484 000080-62-6 52 2-Propenoic acid, 2-methyl , methy 63330 000080-62-6 49 7 2.99 0.36 C:\ DATABASE \NBS75K.L Pyridine 62633 000110-86-1 76 Pyridine 62632 000110-86-1 76 2-Pyridinemethanol, . alpha.-2-pyri 19421 035047-29-1 64 8 4.53 1.44 C:\ DATABASE \NBS75K.L Pyridine, 3-methyl- 63045 000108-99-6 94 Pyridine, 3-methyl- 981 000108-99-6 94 Pyridine, 3-methyl- 63046 000108-99-6 91 9 4.64 1.22 C:\ DATABASE \NBS75K.L Pyridine, 3-methyl- 63045 000108-99-6 55 Pyridine, 4-methyl- 980 000108-89-4 55 Pyridine, 3-methyl- 63044 000108-99-6 52 C:\HPCHEM\1\ DATA \EM31433E.D Thu Jul 20 16:46:23 1995 Page 1 . l I
Pk# RT Areat Library /ID Ref# CAS# Qual 10 6.58 0.80 C:\ DATABASE \NBS75K.L Pyridine, 3,5-dimethyl- 2047 000591-22-0 95
/ Fyridine, 3,4-dimethyl- 2050 000583-58-4 94 Pyridine, 2,5-dimethyl- 2046 000589-93-5 93 l
11 8.79 1.67 C:\ DATABASE \NBS75K.L Benzenamine, 4-propoxy- 10015 004469-80-1 53 2 (1H) -Pyridinone, 1-methyl- 63813 000694-85-9 53 2,3-Pyridinediamine 2194 000452-58-4 52
~ ~
12 9.41 0.64 C:\ DATABASE \NBS75K.L 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 93 Benzene, 1-methoxy-4-methyl- 64712 000104-93-8 35 Phenol, 2-amino-4-methyl- 4034 000095-84-1 25 13 12.10 0.41 C:\ DATABASE \NBS75K.L - Pentanedioic acid, diethyl ester 19778 000818-38-2.74 Pentanedioic acid, diethyl ester 69155 000818-38-2 58 Pentanedioic acid, diethyl ester 69156 000818-38-2 53 14- 12.99 0.46 C:\ DATABASE \NBS75K.L 2H-Quinolizin-3-ol, octahydro , tr 11200 015769-36-5 35 Fumaric Acid 64293 000110-17-8 27 Piperidine, 4-methyl- 63291 000626-58-4 27 15 19.50 1.24 C:\ DATABASE \NBS75K.L 1H-Purine, 6 - (methylthio) - 67932 000050-66-8 12 Thiazolo(4,5-f] quinoline, 2-methyl 22880 038463-33-1 10 1H-Pyrrole-2-carboxylic acid, 3-et 14264 069687-81-6 10 16 19.84 1.13 C:\ DATABASE \NBS75K.L Flavone 28172 000525-82-6 30 Flavone 70612 000525-82-6 22 3-Cyclobutene-1,2-dicarboxylic aci 34695 055673-96-6 20 17 20.47 3.01 C:\ DATABASE \NBS75K.L 2 3-(3-Methoxyphenyl) propionic acid 24861 007116-39-4 32
- Pyridine, 2-ethyl-4,6-dimethyl- 6309 001124-35-2 14 l_ Pyridine, 2,6-diethyl- 6323 000935-28-4 14 18 20.74 0.49 C
- \ DATABASE \NBS75K.L j 2H-Indol-2-one, 1,3-dihydro-5-hydr 9439 003416-18-0 15 i Benzene, 1-methoxy-4-phenoxy- 22977 001655-69-2 15 l 1H-Purin-6-amine, N-methyl- 66644 000443-72-1 11
, 19 27.02 0.44 C:\ DATABASE \NBS75K.L Phosphoric acid, triphenyl ester 73338 000115-86-6 99 Phosphoric acid, triphenyl ester 73337 000115-86-6 91 Phosphoric acid, triphenyl ester 46311 000115-86-6 83 20 27.34 9.30 C:\ DATABASE \NBS75K.L Octicizer 50542 001241-94-7 55 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 53 2 - ( 4 - Cyanophenyl ) dime thylaminom 34091 000000-00-0 42 i C:\HPCHEM\1\ DATA \EM31433E.D Thu Jul 20 16:46:47 1995 Page 2
PN# RT Areat Library /ID Ref# CAS# Qual 21 27.89 0.64 C:\ DATABASE \NBS75K.L 2-Butanol, 3-methoxy- 1908 053778-72-6 46 2-Propanol, 1-(2-methoxypropoxy)- 9233 013429-07-7 43 Propane, 2-ethoxy-2-methyl- 1790 000637-92-3 43 22 28.05 1.63 C:\ DATABASE \NBS75K.L 2,5,8,11,14-Pentaoxapentadecane 28004 000143-24-8 43 2-Hexanol, 2-methyl- 64355 000625-23-0 43 2 - Propanol , 1 - ( 2 -me thoxypropoxy) - 9233 013429-07-7 43
~ ' ~~
23 28.17 0.04 C:\ DATABASE \NBS75K.L Propanoic acid, 2-hydroxy-2-methyl 3494 002110-78-3 46 Oxirane, tetramethyl- 63415 005076-20-0 43 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 43 24 30.84 13.12 C:\ DATABASE \NBS75K.L - Phosphoric acid, tris (3-methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 93 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 25 31.45 16.66 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3-methylphen 51124 000563-04-2 98 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 94 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 91 26 32.07 6.10 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (methylphenyl 51123 001330-78-5 95 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 90 Phosphoric acid, tris (3-methylphen 51124 000563-04-2 87 27 32.76 0.96 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 95 t Phosphoric acid, tris (methylphenyl 73955 001330-78-5 91 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 86 i l l l l l l l I I l l C:\HPCHEM\1\ DATA \EM31433E.D Thu Jul 20 16:46:58 1995 Page 3
. _ _ . . ._.__ _ _ _ ._. . _ _ _ _ _ _ __. ~ _ ._. . _ . . _ ._. __ _
I + . f Area Percent Report -- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433E.D l l ) Oparator : Marti Acquired : 20 Jul 95 4:04 pm using AcqMethod EM31492 Scmple Name: 0595-19e ~ ' ~~ 4 Misc Info : l Vial Number: 1 4
.CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio %
Total Ion Chromatogram 1.410 230396405 22.228 100.000
.1.546- 50436581 4.866 21.891 1.780 13634682 1.315 5.918 1.945 19266929 1.859 8.363 2.466 22598562 2.180 9.809 2.584 60070689 5.795 26.073
] 2.990 3681976 0.355 1.598
~
4.530 14876516 1.435 6.457 4.638 12600113 1.216 5.469 6.575 8289274 0.800 3.598 8.781 17361601 1.675 7.536 , 9.403 6633852 0.640 2.879 12.104 4198657 0.405 1.822 12.998 4756604 0.459 2.065 19.507 12876754 1.242 5.589 19.842 11676835 1.127 5.068 20.475 31235814 3.014 13.557 i 20.739 5051536 0.487 2.193 27.018 4566695 0.441 1.982 27.338 96418120 9.302 41.849 27.884 6635848 0.640 2.880
< 28.053 16917102 1.632 7.343 28.178 419099 0.040 0.182 30.847 136020291 13.123 59.038 31.457 172705111 16.662 74.960 32.078 63278422 6.105 27.465 32.766 9922597 0.957 4.307 C:\HPCHEM\1\ DATA \EM31433E.D Thu Jul 20 16:46:04 1995 Page 1
Ion 55.00 (54.70 to 55.70): EM31433E.D 0595-19e Pack # Ret Time Type Width Area Start Time End Time 1 2.466 PV 0.039 12908601 2.420 2.555 2 2.583 VB 0.045 1334935 2.555 2.716 I I i
Ion 69.00 (68.70 to 69.70) : EM31433E.D 0595-190 Pack # Ret Time Type Width Area Start Time End Time 1 2.585 BB 0.041 10887152 2.365 2.960 1 i 1
. l i
File : C:\HPCHEM\1\ DATA \EM31433F.D Operator : Marti Acquired : 21 Jul 95 9:20 am.using AcqMethod EM31492 i Instrument : 5972 - 33 Sample Name: 0595-19f l Misc Info : l Vial-Number: 1 FIGURE 11 ! TIC: EM31433F.D Abundance r i . i i - :
; i i, 4
j
; 7500000 J i j
' 1 7000000-I
. f j
l6500000 $ 1 I 6000000;1
- t 5500000. i 4
5000000; . I t l4500000J l I 4000000 1 1 l l 3500000.' i i . I 1 i 1 l l l30000001l i 4 l ] ! !2500000y
- 1 J
20000004 ' e i i
- ) i
- ;1500000d f i
' t i 1000000 .' 4
}
i , l i
,' i j
- 5000002 ;
' - l ![i i
,q !
O ^O-L"'= - ' *E A' " Time--> 10.00 20.00 30.00 i t 3 ;
File : C:\HPCHEM\1\ DATA \EM31433F.D Operator : Marti Acquired : 21 Jul 95 9:20 am using AcqMethod EM31492 Instrument : 5972 - 33 Sample Name: 0595-19f Misc Info : Vial Number: 1 FIGURE 12_ __ Acuncance Ion 55.00 (54.70 to 5b.70): EM31433F.D ;
; 2.47 i 450000; i -
e 400000J i l 350000- ! , I ! 300000 ! I 3 3 2500002 I
, 200000 .
e
! ; .I
! 150000
- i
.I l 1000003 ,
5 2.58 i 50000; i' i-
^
! O
. Time--> 1.'00 2.'00 3.00 4.'00 5.00 Rouncance lon 69.00 (66.70 to 69.70): EM31433F.D
- i a
450000J 2 1 400000J 2.58
$ 1 l 3500003 1 1 3000003 l i
2500003 3 l 200000J i 1 1500002
! 100000.5 I
5 ;
- 50000; i 1 0 5 (*- k--
)
Time--> 1.'00 2.00 3.00 4.00 5.00 , j i
'Information from DItn Filo:
Filo : C:\HPCHEM\1\ DATA \EM31433F.D Op3rator : Marti Acquired : 21 Jul 95 9:20 am using AcqMethod EM31492 S mple Name: 0595-19f
' Mice Info :
Vicl Number: 1 Sacrch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 Unknown Spectrum: Apex - - - j Integration Params: AutoIntegrate r Pk# RT Areat Library /ID Ref# CAS# Qual 1 1.40 18.06 C:\ DATABASE \NBS75K.L No matches found . 2 1.55 4.03 C:\ DATABASE \NBS75K.L No matches found 3 1.94 0.60 C:\ DATABASE \NBS75K.L Tetrahydro-4H-pyran-4-ol 1718 002081-44-9 38 Urea, tri. methyl- 1683 000632-14-4 37 Propanenitrile, 3 - (me thylamino) - 542 000693-05-0 23 4 2.47 1.73 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 91 2-Propenoic acid, ethyl ester 63319 000140-88-5 83 2-Propenoic acid, ethyl ester 63317 000140-88-5 83 5 2.58 4.56 C:\ DATABASE \NBS75K.L 2-Butenoic acid, methyl ester, (E) 63312 000623-43-8 64 2-Propenoic acid, 2-methyl , methy 63330 000080-62-6 52 2-Propenoic acid, 2-methyl , methy 63329 000080-62-6 52 6 4.64 0.65 C:\ DATABASE \NBS75K.L Pyridine, 2-methyl- 977 000109-06-8 87 Pyridine, 3-methyl- 63045 000108-99-6 86 Pyridine, 3-methyl- 981 000108-99-6 55 7 9.40 0.34 C:\ DATABASE \NBS75K.L 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 87 5-Dimethylaminopyrimidine 4021 031401-46-4 35 Niacinamide 64644 000098-92-0 35 8 11.49 0.39 C:\ DATABASE \NBS75K.L Pentanedioic acid, 2-methyl , mono 12301 072088-36-9 43 Pentanedioic acid, 2-methyl , dime 16129 014035-94-0 23 2-Hexenoic acid, 2-methyl , methyl 7932 050652-82-9 14 9 12.10 0.69 C:\ DATABASE \NBS75K.L Pentanedioic acid, diethyl ester 19778 000818-38-2 74 Pentanedioic acid, diethyl ester 69156 000818-38-2 59 Pentanedioic acid, diethyl ester 69155 000818-38-2 47 I C:\HPCHEM\1\ DATA \EM31433F.D Fri Jul 21 10:02:08 1995 Page 1 l
'Pk# RT Arca% Library /ID Ref# CAS# Qual 10 12.99 0.40 C:\ DATABASE \NBS75K.L Vinyldichlorosilane 4361 000000-00-0 43 Fumaric Acid 64253 000110-17-8 32 Piperidine, 4-methyl- 63292 000626-58-4 27 11 17.35 0.24 C:\ DATABASE \NBS75K.L Phenol, 4- (1,1,3,3-tetramethylbuty 24424 000140-66-9 87 Phenol, 4-(2,2,3,3-tetramethylbuty 24409 054932-78-4 80 Phenol, 4 - (1,1,3,3 -tetramethylbuty 70047 000140-66-9 64
~ ~
12 19.50 1.05 C:\ DATABASE \NBS75K.L Benzo [b] thiophene, 2 - (butylthio) - 28074 054965-46-7 25 Benzo (b} thiophene, 2-[(2-methylpro 28075 054965-47-8 11 Thiazolo [4,5 - f] quinoline , 2-methyl 22880 038463-33-1 10 13 19.84 0.95 C:\ DATABASE \NBS75K.L Flavone 70612 000525-82-6 22 Phenol, 2- (2-quinoxalinyl) - 28139 017392-20-0 15 Heteroxanthine, 1,3-diethyl- 28000 031617-39-7 14 14 20.47 2.73 C:\ DATABASE \NBS75K.L 3-(3-Methoxyphenyl) propionic acid 24861 007116-39-4 38 Benzene, 1-methyl-4-(nitromethyl)- 9997 029559-27-1 14 2-Methyl-1-vinylnaphth(2,3-d)imida 24948 000000-00-0 11 15 20.73 1.06 C:\ DATABASE \NBS75K.L 1H-Purin-6-amine, N-methyl- 66644 000443-72-1 25 Benzenamine,~4,4'-oxybis- 22924 000101-80-4 25 Benzoic acid, 4-ethoxy , ethyl est 21260 023676-09-7 20 16 27.02 0.75 C:\ DATABASE \NBS75K.L Phosphoric acid, triphenyl ester 73338 000115-86-6 99 Phosphoric acid, triphenyl ester 73337 000115-86-6 93 Phosphoric acid, triphenyl ester 46311 000115-86-6 87 17 27.35 15.04 C:\ DATABASE \NBS75K.L Octicizer 50542 001241-94-7 90 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 53 2 - ( 4 - Cyanophenyl ) dime t hylaminom 34091 000000-00-0 42 18 27.55 1.00 C:\ DATABASE \NBS75K.L 2H-1-Benzopyran-2-one, 7-amino-4-m 16440 026093-31-2 50 19 27.76 1.00 C:\ DATABASE \NBS75K.L Propanoic acid, 2-hydroxy-2-methyl 3494 002110-78-3 46 2-Propanol, 1- [1-me t hyl ( 2 -prope 16196 055956-25-7 43 2-Propanol, 1- (2 -methoxypropoxy) - 9233 013429-07-7 43 20 27.87 2.83 C:\ DATABASE \NBS75K.L Oxirane, tetramethyl- 63415 005076-20-0 43 Propane, 2-ethoxy-2-methyl- 1790 000637-92-3 43 2-Propanol, 2-methyl- 62573 000075-65-0 43 21 28.05 5.21 C:\ DATABASE \NBS75K.L 2-Propanol, 1-(2-(2-methoxy-1-meth 24251 020324-33-8 40 1-Propanol, 2-(2-methoxy-1-methyle 9239 055956-21-3 40 Butanamide, 3-methyl- 1621 000541-46-8 38 C:\HPCHEM\1\ DATA \EM31433F.D Fri Jul 21 10:02:35 1995 Page 2
'Pk# RT Areat Library /ID Ref# CAS# Qual 22 28.22 3.39 C:\ DATABASE \NBS75K.L Oxirane, tetramethyl- .63415 005076-20-0 43 Butane, 2-methoxy-3-methyl- 1791 062016-49-3 43 j 2,5,8,11,14-Pentaoxapentadecane 28004 000143-24-8 43 23 29.59 0.59 C:\ DATABASE \NBS75K.L l Dibenz [a, j ] acridine 72238 000224-42-0 35 i Dibenz(a,j] acridine 39333 000224-42-0 35 l 2-Aminodiftalone 39294 037149-92-1 23 1
24 30.86 11.66 C:\ DATABASE \NBS75K.L - - ~~ Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 l
- Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 -
j Phosphoric acid, tris (methylphenyl 73955 001330-78-5 90 [ 25 31.46 15.28 C:\ DATABASE \NBS75K.L , j Phosphoric acid, tris (3-methylphen 51124 000563-04-2 99 1 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 95
- Phosphoric acid, tris (methylphenyl 73955 001330-78-5 93 26 32.08 5.07 C
- \ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 98
! Phosphoric acid, tris (methylphenyl 51123 001330-78-5 93 ' Phosphoric acid, tris (methylphenyl 73955 001330-78-5 76 27 32.76 0.70 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3-methylphen '51124 000563-04-2 96 Phosphoric acid, tris (4-methylphen 51126 000078-32-0 95 Diphenanthro (9,10-b : 9 ' ,10 ' -d] furan 51195 000000-00-0 78 ; i C:\HPCHEM\1\ DATA \EM31433F.D Fri Jul 21 10:02:45 1995 Page 3
- Area Percent Report -- Sorted by Signal Information from Data File
- ;
File : C:\HPCHEM\1\ DATA \EM31433F.D l j oparator :-Marti i Acquired : 21 Jul 95 9:20 am using AcqMethod EM31492 ; Scmple Name: 0595-19f ~ ~ ~ ~ ~ Micc Info : ] Vial Number: 1 . , CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M u Retention Time Area Area % Ratio % 4
; Total Ion Chromatogram i 1.400 263356599 18.063 100.000 11.543 58700794 4.026 22.289 ;
1.945 8702165 0.597 3.304 2.464 25250071 1.732 9.588 2.582 66439453 4.557 25.228 , 4.633 9453484 0.648 3.590 9.403 4937028 0.339 1.875 11.495 5706772 0.391 2.167 12.103 10060609 0.690 3.820 12.996 5875715 0.403 2.231 , 17.345 3441660 0.236 1.307 19.506 15290388 1.049 5.806 19.841 13872002 0.951 5.267 20.475 39743711 2.726 15.091 20.738 15446143 1.059 5.865 27.017 10883687 0.747 4.133 27.350 219276548 15.040 83.262 27.556 14610021 1.002 5.548 27.752 14586967 1.001 5.539 27.880 41283065 2.832 15.676 28.052 75919482 5.207 28.828 28.221 49491631 3.395 18.793 ; 29.596 8592719 0.589 3.263 30.852 169971402 11.658 64.540 31.463 222842656 15.285 84.616 32.079 73957654 5.073 28.083 32.768 10265930 0.704 3.898 i s C:\HPCHEM\1\ DATA \EM31433F.D Fri Jul 21 10:01:46 1995 Page 1 l 2
Ioq 55.00 (54.70'to:55.70): EM31433F.D-0595-19f Pack # Ret Time. Type Width Area Start Time End Time 1 2.465 BV 0.045 14908438 .2.345 2.558 4 2 -2.579- VV 0.064 2416449 2.558 2.802 j l l lu I 1
/
I h s 5 i i f i T i E i i
,y_ - - - .,. _ _ - . - . . . - , _
Iop 69.00 (68.70 to 69.70): EM31433F.D
. 0595-19f Pack # Ret Time Type Width Area Start Time End Time
.1 2.584 BV 0.046 11858796 2.514 2.820
... e .*+-eo B
h ? 4 i i i' a a i i i 4 i ^ J ? 7 i s i
. ._, _ _ , _ _ _ - . J
File : C:\HPCHEM\1\ DATA \EM31433G.D i
' Operator : Marti Acquired : 21 Jul 95 10:33 am using AcqMethod EM31492 Instrument : 5972 - 33 Sample Name: 0595-199 ,
Misc Info : ! Vial' Number: 1 i FIGURE 13 Abuhdahce TIC: EM3T4 3 3G . D + f2.4e+07 < ,- I i 2.2e+07_ 2e+07'.
} .
1.8e+07 .: 1 1 1.6e+07 4
+
i. I 1.4e+07 1 1 i 1.2e+07 J l I
! 1 I
l
; le+07j I
l 4 I 8000000j i i ,
! l '
i i i s i60000004 I
\
4 i i
! i f4000000 a s
3 l ; 1 20000003 i f,, , a o dLLJb. ia i __s L'e' ke i_ A d i
.' Time--> 10!00 20.00 30.00 ;
. i I
1
- File : C:\HPCHEM\1\ DATA \EM31433G.D /^; Operator : Marti
- 21 Jul 95 10:33 am using AcqMethod EM31492
~
Acquired Instrument.: 5972 - 33 Sample Name: 0595-19g Misc Info : Vial Number: 1 FIGURE 14. .
. AbuncarFce Ion 55.00 t54.70 to 55.70): EM31433G.D i {'
600000 - 2.46 i l i 5000003 . ;
} !
,400000.i i
3000002 , 200000 - l 1 i : 1000002 i ,
\ ;
I O u. ^^ ~. ~' - ~ ^ - ' - Time--> 1.'00 2.'00 3.00 4.'00 5.'00 ADundance Ion 69.00 (68.70 to 69.70): EM3T433G . D . 600000- . 1 i
.l I -
500000 l 4 2.58 . t I 400000J l f i : !
! lt : , 1 I 300000j lj i
^ 200000 I l I 100000 I 1 ,1 I
- I i i I ,
O i A A N ^ l iTime--> 1 '00 2.00 3.00 4.'00 5.'00 l I
i l , Informntion from Dnta File: File : C:\HPCHEM\1\ DATA \EM31433G.D : Oparator : Marti
; Acquired : 21 Jul 95 10:33 am using AcqMethod EM31492 3S nmple Name: 0595-19g Mice Info : ,
Vial Number: 1 Sanrch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 l I Unknown Spectrum: Apex - ' ~ ~ ~ Integration Params: AutoIntegrate , Pk# RT Area % Library /ID Ref# CAS# Qual
.1 1.42 8.12 C:\ DATABASE \NBS75K.L '
No matches found - t 2 1.57 2.53 C:\ DATABASE \NBS75K.L No matches found I 3 1.77 0.79 C:\ DATABASE \NBS75K.L - 2-Butenal 62440 004170-30-3 91 2-Butenal 62442 004170-30-3 91 2 2-Butenal, (E)- 214 000123-73-9 90 4 1.94 0.88 C:\ DATABASE \NBS75K.L Furan, 2-methyl- 463 000534-22-5 90 Furan,'2-methyl- 62666 000534-22-5 86 Furan, 2-methyl- 62665 000534-22-5 64 5 2.47 0.90 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 91 2-Propenoic acid, ethyl ester 1461 000140-88-5 91 2-Propenoic acid, ethyl ester 63319 000140-88-5 83 6 2.58 2.17 C:\ DATABASE \NBS75K.L 2-Propenoic acid, 2-methyl , methy 63330 000080-62-6 46 2-Propenoic acid, 2-methyl , methy 63329 000080-62-6 46 2-Propenoic acid, 2-methyl , methy 1484 000080-62-6 46 . 7 2.92 0.58 C:\ DATABASE \NBS75K.L Cyclobutane 62310 000287-23-0 43 ; 2-Butene, (E) - 62301 000624-64-6 38 ' 2-Butene, (E)- 75 000624-64-6 38 8 3.04 0.29 C:\ DATABASE \NBS75K.L 1H-Pyrrole, 1-methyl- 62656 000096-54-8 43 1H-Pyrrole, 1-methyl- 62657 000096-54-8 38 2-Hexen-4-yne, (Z) - 432 030626-48-3 38 9 4.50 1.32 C:\ DATABASE \NBS75K.L Pyridine, 3-methyl- 981 000108-99-6 96 ; Pyridine, 3-methyl- 63045 000108-99-6 95 Pyridine, 3-methyl- 63044 000108-99-6 94 1 C:\HPCHEM\1\ DATA \EM31433G.D Fri Jul 21 11:15:13 1995 Page 1 I
Pk# RT Areat Library /ID Ref# CAS# Qual 10 4.64 0.56 C:\ DATABASE \NBS75K.L Benzene, 1,3-dimethyl- 63697 000108-38-3 91 Benzene, 1,2-dimethyl- 63706 000095-47-6 87 p-Xylene 63702 000106-42-3 55 11 6.53 0.93 C:\ DATABASE \NBS75K.L Pyridine, 3,5-dimethyl- 2047 000591-22-0 95 Pyridine, 3,5-dimethyl- 63720 000591-22-0 91 Pyridine, 3,4-dimethyl- 2050 000583-58-4 90
~ ~ ~
12 8.05 0.27 C:\ DATABASE \NBS75K.L Pyridine, 2,3,5-trimethyl- 3839 000695-98-7 91 , Pyridine, 2,3,6-trimethyl- 3822 001462-84-6 90 Pyridine, 2,3,6-trimethyl- 64607 001462-84-6 87 13 8.34 0.23 C:\ DATABASE \NBS75K.L Pyridine, 3-ethyl-5-methyl- 3821 003999-78-8 97 Aniline, 2-ethyl- 3813 000587-02-0 93 Benzenamine, 2,6-dimethyl- 64612 000087-62-7 91 14 8.55 0.39 C:\ DATABASE \NBS75K.L Pyridine, 5-ethenyl-2-methyl- 3656 000140-76-1 94 4-Aminostyrene 3652 001520-21-4 87 Benzene, isocyanato- 3642 000103-71-9 53 15 8.71 1.90 C:\ DATABASE \NBS75K.L 2,3-Pyridinediamine 2194 000452-58-4 59 3,4-Pyridinediamine 2193 000054-96-6 59 Phenol, 3-amino- 2210 000591-27-5 53 16 9.40 0.37 C:\ DATABASE \NBS75K.L 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 94 1H-Pyrrole, 3-ethyl-2,4,5-trimethy 65853 000520-69-4 37 Pyrazine, 5-butyl-2,3-dimethyl- 67853 015834-78-3 32 17 10.49 0.11 C:\ DATABASE \NBS75K.L Ethanone, 1-(1-methyl-1H-pyrrol 64728 000932-16-1 78 1H-Pyrrole, 2-ethyl-3,5-dimethyl- 4057 032990-59-3 72 1H-Pyrrole, 3-ethyl-2,4-dimethyl- 64742 000517-22-6 64 18 11.49 0.15 C:\ DATABASE \NBS75K.L Butanedioic acid, 2,2-dimethyl , d 16117 049827-44-3 27 Pentanedioic acid, 2-methyl , mono 12301 072088-36-9 25 Pentanedioic acid, 2-methyl , dime 68429 014035-94-0 22 19 12.10 0.19 C:\ DATABASE \NBS75K.L l Pentanedioic acid, diethyl ester 19778 000818-38-2 87 Pentanedioic acid, diethyl ester 69155 000818-38-2 59 Pentanedioic acid, diethyl ester 69156 000818-38-2 59 20 12.99 0.16 C:\ DATABASE \NBS75K.L l Vinyldichlorosilane 4361 000000-00-0 43 Azacycloheptane, N- [(4,5-dichlorop 49675 000000-00-0 32 2H-Quinolizin-3-ol, octahydro , tr 11200 015769-36-5 32 C:\HPCHEM\1\ DATA \EM31433G.D Fri Jul 21 11:15:34 1995 Page 2 l I 1
t .. Pk# RT Areat Library /ID Ref# CAS# Qual 21 17.17 0.28 C:\ DATABASE \NBS75K.L 1,3-Propanediol, 2,2-bis (hydroxyme ' 6397 000115-77-5 41 Thiopental 71223 000076-75-5 38 Julolidine 16010 000479-59-4 35 22 17.75 0.37 C:\ DATABASE \NBS75K.L -
)
1,3-Propanediol, 2,2-bis (hydroxyme 6397 000115-77-5 91 l 1 1,5-Pentanediol, 3-methyl- 64449 004457-71-0 45 , 4 2-Butene-1,4-diol 795 000110-64-5 43 I
' ' ' ' ~
l
- 23 17.94 0.11 C
- \ DATABASE \NBS75K.L
- 1,3-Propanediol, 2,2-bis (hydroxyme 6397 000115-77-5 91 2-Butene-1,4-diol 795 000110-64-5 53
. 1,5-Pentanediol, 3-methyl- 64449 004457-71-0 50 l I 24 19.50 0.39 C:\ DATABASE \NBS75K.L
- Tetrafluoroisophthalonitrile 22748 002377-81-3 11 Benzene, dichloromethyl(1-methylet 22825 054889-89-3 11 Thiazolo [4,5-f] quinoline , 7-methyl 22884 003119-54-8 10 25 19.84 0.38 C:\ DATABASE \NBS75K.L Flavone 28172 000525-82-6 30 Flavone 70612 000525-82-6 27 Phenol, 2-(2-quinoxalinyl)- 28139 017392-20-0 25 26 20.48 1.08 C:\ DATABASE \NBS75K.L 3- (3-Methoxyphenyl) propionic acid 24861 007116-39-4 38 3-Pyridinecarbonitrile, 1,4-dihydr 6098 000767-98-6 18 1,3-Dithiolane, 2,2-dimethyl- 6050 006008-78-2 14 27 20.73 0.19 C:\ DATABASE \NBS75K.L 3-(3-Pyridyl)propenoic acid 9438 001126-74-5 22 4-Pyridinecarboxaldehyde, 3-hydrox 14236 000066-72-8 18 4-Amino-2-methyl-5,6-trimethylenep 9460 076881-49-7 18 28 21.81 -0.04 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3-methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 98 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 81 29 23.39 1.94 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 96 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 93 30 24.52 1.04 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 98 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 94 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 89 31 27.03 0.86 C:\ DATABASE \NBS75K.L Phosphoric acid, triphenyl ester 73338 000115-86-6 99 Phosphoric acid, triphenyl ester 73337 000115-86-6 96 Phosphoric acid, triphenyl ester 46311 000115-86-6 93 C:\HPCHEM\1\ DATA \EM31433G.D Fri Jul 21 11:15:58 1995 Page 3
l Ref# Pk# RT Areat Library /ID CAS# Qual 32 27.42 34.24 C:\ DATABASE \NBS75K.L . Octicizer 50542 001241-94-7 81 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 47 2 - ( 4 - Cyanophenyl) dime t hylaminom 34091 000000-00-0 47 33 27.58 1.89 C:\ DATABASE \NBS75K.L No matches found 34 27.72 0.11 C:\ DATABASE \NBS75K.L Pentane, 2-methoxy- 1778 006795-88-6 43
~
2-Butanol, 3-methoxy- '1908 053778-72-6 43 2-Butanol, 2,3-dimethyl- 1784 000594-60-5 38 35 27.89 1.12 C:\ DATABASE \NBS75K.L 2-Propanol, 1- ( 2 -me thoxypropoxy) - 9233 013429-07-7 43 Butanamide, 3-methyl- 1621 000541-46-8 43 Propanoic acid, 2-hydroxy-2-methyl 3494 002110-78-3 43 36 27.98 0.42 C:\ DATABASE \NBS75K.L l-Methamphetamine 9504 000000-00-0 43 2-Propanol, 1- ( 2 -methoxypropoxy) - 9233 013429-07-7 38 Butanamide, 3-methyl- 1621 000541-46-8 38 37 28.07 0.84 C:\ DATABASE \NBS75K.L Propane, 1-ethoxy-2-methyl- 1772 000627-02-1 43 1-Methamphetamine 9504 000000-00-0 43 2-Propanol, 1- ( 2 -me thoxypropoxy) - 9233 013429-07-7 43 38 28.18 0.04 C:\ DATABASE \NBS75K.L Oxirane, tetramethyl- 63415 005076-20-0 43 2-Propanol, 1 - [1-me thyl ( 2 -prope 16196 055956-25-7 43 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 43 39 29.63 0.19 C:\ DATABASE \NBS75K.L 4H-1-Benzopyran-2-carboxylic acid, 39265 005823-37-0 38 4H-1-Benzopyran-2-carboxylic acid, 39264 030192-14-4 22 [2,2'-Bifuran]-5,5'-dicarboxylic a 39095 005905-03-3 22 40 30.89 8.94 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 87 41 31.52 11.76 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3-methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 94 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 93 ) I 42 31.63 0.40 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (methylphenyl 51123 001330-78-5 95 Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 60 i Phosphoric acid, tris (methylphenyl 73955 001330-78-5 53 ) i 43 32.13 5.36 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 98 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 93 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 91 C:\HPCHEM\1\ DATA \EM31433G.D Fri Jul 21 11:16:18 1995 Page 4 l l
Pk# RT Areat Library /ID Ref# CAS# Qual 44 32.80 1.96 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (4-methylphen 51126 000078-32-0 96 Phosphoric acid, tris (3-methylphen 51124 000563-04-2 94 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 78 45 33.03 1.34 C:\ DATABASE \NBS75K.L 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 38 2,3-Butanediol, 2,3-dimethyl- 3526 000076-09-5 38 Propane, 2-ethoxy-2-methyl- 1790 000637-92-3 38
~~ ~ ~ ~
46 33.20 1.93 C:\ DATABASE \NBS75K.L 1-Propanol, 2-(2-methoxy-1-methyle 9239 055956-21-3 47 j 2,5,8,11-Tetraoxatetradecan-13-ol, 36541 020324-34-9 38 1 2-Propanol, 1-(2-(2-methoxy-1-meth 24251 020324-33-8 38 i 1 i i j-t i I C:\HPCHEM\1\ DATA \EM31433G.D Fri Jul 21 11:16:24 1995 Page 5
Area Percent Report -- Sorted by Signal Information1 from Data File: File : C:\HPCHEM\1\ DATA \EM31433G.D Operator : Marti Acquired : 21 Jul 95 10:33 am using AcqMethod EM31492 Simple Name: 0595-19g ' ~~~ Misc Info : Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % Total Ion Chromatogram 1.412 289291132 8.123 23.719 1.574 90266994 2.534 7.401 1.775 28240087 0.793 2.315 1.943 31296645 0.879 2.566 2.463 32065752 0.900 2.629 , 2.582 77236751 2.169 6.333 2.919 20808246 0.584 1.706 3.037 10404209 0.292 0.853 4.503 47015719 1.320 3.855 4.636 19984039 0.561 1.638 6.531 33226179 0.933 2.724 8.042 9641013 0.271 0.790 8.343 8263667 0.232 0.678 8.552 13792629 0.387 1.131 8.718 67773402 1.903 5.557 9.402 13045277 0.366 1.070 10.492 4050088 0.114 0.332 11.491 5454062 0.153 0.447 12.098 6595809 0.185 0.541 12.992 5607355 0.157 0.460 17.172 9836995 0.276 0.807 17.748 13318293 0.374 1.092 17.946 4054915 0.114 0.332 19.507 13880677 0.390 1.138 19.842 13672646 0.384 1.121 20.477 38422771 1.079 3.150 20.738 6813956 0.191 0.559 21.804 -1275080 -0.036 -0.105 23.391 69117680 1.941 5.667 24.525 36938726 1.037 3.029 27.026 30610558 0.859 2.510 27.427 1219654760 34.245 100.000 27.572 67295052 1.889 5.518 27.721 3931155 0.110 0.322 27.889 39816162 1.118 3.265 C:\HPCHEM\1\ DATA \EM31433G.D Fri Jul 21 11:14:51 1995 Page l'
i i Area Percent Report -- Sorted by Signal l l Information_from Data File-File : C:\HPCHEM\1\ DATA \EM31433G.D ] Operator : Marti Acquired : 21 Jul 95 10:33 am using AcqMethod EM31492 l I Scmple Name: 0595-199 ' ~ ~ ~ Misc Info : ; Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area t Ratio t 27.981 15060633 0.423 1.235 2P '3 29946541 0.841 2.455 s0 1284411 0.036 0.105
>.633 6731942 0.189 0.552 ,
30.887 318399286 8.940 26.106 31.518 418690981 11.756 34.329 . 31.631 14209108 0.399 1.165 32.136 190811860 5.358 15.645 32.802 69937541 1.964 5.734 33.026 47571409 1.336 3.900 33.205 68775543 1.931 5.639 2 4 ) i i j I l C:\HPCHEM\1\ DATA \EM31433G.D Fri Jul 21 11:14:53 1995 Page 2
Ion 5'5.00 (54.70 to 55.70): EM31433G.D 0595-19g Pack # Ret Time Type Width Area Start Time End Time 1 2.464 PV 0.040 15164672 2.416 2.553 l I
Ion 69.00 (68.70 to 69.70) : EM31433G.D 0595-19g Pak# Ret Time Type Width Area Start Time End Time 1 2.584 VB 0.042 12263629 2.532 2.861 9
File : C:\HPCHEM\1\ DATA \EM31433H,D ; Operator. : Marti ; Acquired : 21 Jul 95 1:37 pm using AcqMethod EM31492 ! Instrument : 5972 - 33 ! Sample Name: 0595-19h , Misc Info : ! Vial Number: 1 FIGURE 15 AbTndance TICT EM31433H D .
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l6500000 ' i , i , l6000000 ; 5500000}
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! File : C:\HPCHEM\1\ DATA \EM31433H.D , i Operator : Marti Acquired : 21 Jul 95 1:37 pm using AcqMethod EM31492 [ Instrument : 5972 - 33 l Sample Name: 0595-19h l j Misc Info : Vial Number: 1 ; FIGURE 16 ! 55.00 (54.70 to-55.70): 'EM31433H.D
,Abuncance Ion , 7
{ j 2.46 , ; l 800000 J ; I l l l t
- 700000' ,
i 1 1 1 600000-4
- 500000_'
l' 400000l, a > ( d j 300000 - 200000- I
- . i j
i 100000i 2 .58 l
! O 1 ( e -
1 , Time--> 1.'00 2.'00 3.'00 4.'00 5.00 ADundance Ion 69.00 (68.70 to 69.70): EM31433H.D 4 4 , i , 800000j
- I 700000- ;
i l 600000 - 2.58 i i i l 5000004 , 1 r J
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- ; 3000004 ,
i 4 i l I 200000J I 4 LI l: 100000 J: j
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, Time--> 1.'00 2.'00 3.00 4.'00 5.'00 { !
Informntion from D tn File: Filo : C:\HPCHEM\1\ DATA \EM31433H.D Operator : Marti Acquired : 21 Jul 95 1:37 pm using AcqMethod EM31492
, S:mple Name: 0595-19h , Misc Info :
Vial Number: 1 S: arch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 Unknown Spectrum: Apex - ~
~
Integration Params: events.e Pk# RT Areat Library /ID Ref# CAS# Qual 1 1.40 23.34 C:\ DATABASE \NBS75K.L No matches found 2 1.55 7.93 C:\ DATABASE \NBS75K.L No matches found 3 1.94 0.61 C:\ DATABASE \NBS75K.L Ethyl Acetate 817 000141-78-6 50 Ethyl Acetate 62925 000141-78-6 45 Ethyl Acetate 62924 000141-78-6 38 4 2.46 3.71 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 91 2-Propenoic acid, ethyl ester 1461 000140-88-5 87 2-Propenoic acid, ethyl ester 63319 000140-88-5 83 5 2.58 8.68 C:\ DATABASE \NBS75K.L 2-Propenoic acid, 2-methyl , methy 63330 000080-62-6 64 2-Propenoic acid, 2-methyl , methy 1484 000080-62-6 64 2-Propenoic acid, 2-methyl , methy 63329 000080-62-6 58 6 4.58 0.96 C:\ DATABASE \NBS75K.L Pyridine, 3-methyl- 981 000108-99-6 93 Pyridine, 4-methyl- 980 000108-89-4 93 Pyridine, 3-methyl- 63045 000108-99-6 91 7 11.49 0.57 C:\ DATABASE \NBS75K.L Hexanedioic acid, monoethyl ester 16125 000626-86-8 38 Pentanedioic acid, 2-methyl , mono 12301 072088-36-9 32 Dimethyl ethylbutane-1,4-dioate 16107 000000-00-0 32 8 12.10 0.93 C:\ DATABASE \NBS75K.L Pentanedioic acid, diethyl ester 19778 000818-38-2 81 Pentanedioic acid, diethyl ester 69156 000818-38-2 53 Pentanedioic acid, diethyl ester 69155 000818-38-2 52 9 12.99 0.75 C:\ DATABASE \NBS75K.L 2H-Quinolizin-3-ol, octahydro , tr 11200 015769-36-5 38 l Vinyldichlorosilane 4361 000000-00-0 38 l Piperidine, 4-methyl- 63292 000626-58-4 35 C:\HPCHEM\1\ DATA \EM31433H.D Mon Jul 24 10:14:52 1995 Page 1
Pk# RT Aroc% Library /ID Ref# CAS# Qual 10 19.15 0.32 C:\ DATABASE \NBS75K.L Cyclobutanol 263 002919-23-5 38 Phenol, 4-(2-aminopropyl) , (.+/ . 10013 001518-86-1 8 11 19.50 1.77 C:\ DATABASE \NBS75K.L 3-Cyclobutene-1,2-dicarboxylic aci 29069 055673-94-4 11 Thiazolo [4,5-f] quinoline , 7-methyl 22884 003119-54-8 10 9H-Carbazole, 9-nitroso- 21843 002788-23-0 10 12 19.84 1.60 C:\ DATABASE \NBS75K.L Flavone 28172 000525-82-6 38 Quinazoline, 4-phenyl , 1-oxide 28137 004015-36-5 18 3-Cyclobutene-1,2-dicarboxylic aci 29065 055673-92-2 15 13 20.47 5.20 C:\ DATABASE \NBS75K.L 3- (3-Methoxyphenyl) propionic acid 24861 007116-39-4 38 Pyridine, 2-ethyl-4,6-dimethyl- 6309 001124-35-2 18 Benzenemethanamine, N - [ [ [4 -hydroxy 34946 000000-00-0 11 14 20.73 0.99 C:\ DATABASE \NBS75K.L 7H-Purin-6-amine, 7-methyl- 9421 000935-69-3 18 4-Amino-2-methyl-5,6-trimethylenep 9460 076881-49-7 18 Benzene, 1-isocyanato-2-methoxy- 9446 000700-87-8 14 15 21.34 0.45 C:\ DATABASE \NBS75K.L Butylated Hydroxytoluene 70550 000128-37-0 40 4H-1-Benzopyran-4-one, 5,7-dihydro 36247 013475-09-7 38 Butylated Hydroxytoluene 70556 000128-37-0 38 16 24.13 0.20 C:\ DATABASE \NBS75K.L 1-Butanol, 4-ethoxy- 3538 000111-73-9 37 3-Hexanol, 1,5-dimethoxy-2,4-dimet 20269 013897-22-8 35 1-Propanol, 2 - ( 2 -me thoxypropoxy) - 9232 013588-28-8 25 17 24.27 0.62 C:\ DATABASE \NBS75K.L Ethanol, 2-[2-[4-(1,1,3,3-tetramet 41793 002315-61-9 91 2-Propanone, 1-(2,5-dimethoxy-4-me 28371 043021-99-4 38 p-Toluidine, N,N-dimethyl . alpha.- 70661 014629-54-0 23 18 24.74 0.31 C:\ DATABASE \NBS75K.L 2-Methylphenanthro [3,4 -D] [1,3] oxaz 33707 098033-24-0 43 1H-3-Benzazepine-2-carboxylic acid 33671 017639-49-5 43 1,2-Dihydro-3-methyl-3H-naphth[1,2 33718 098033-22-8 43 19 27.33 0.89 C:\ DATABASE \NBS75K.L 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 53 Octicizer 50542 001241-94-7 50 2 - ( 4 - Cyanophenyl ) dime thylaminom 34091 000000-00-0 50 20 30.82 9.21 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 87 C:\HPCHEM\1\ DATA \EM31433H.D Mon Jul 24 10:15:14 1995 Page 2 I
Pk# RT Area % Library /ID- Ref# CAS# Qual 21 31.44 18.39 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3-methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 95 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 93 22 32.07 9.62 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 96 Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 91 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 90 23 32.76 2.81 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 95 Phosphoric acid, tris (3 -methylphen 51124 000563-04-2 83 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 60 24 32.98 0.83 C:\ DATABASE \NBS75K.L - Butanamide, 3-methyl- 1621 000541-46-8 43
. Propane, 2-methoxy- 332 000598-53-8 43 2-Hexanol, 2-methyl- 64354 000625-23-0 43 25 33.17 0.32 C:\ DATABASE \NBS75K.L Hydrazine, 1-butyl-1-methyl- 1755 020240-62-4 43 Butanamide, 3-methyl- 1621 000541-46-8 43 2-Pentanol, 2,3-dimethyl- 3357 004911-70-0 43 1
. 1 C:\HPCHEM\1\ DATA \EM31433H.D Mon Jul 24 10:15:22 1995 Page 3 l
l Area Percent Report -- Sorted by Signal l Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433H.D i Opsrator : Marti Acquired : 21 Jul 95 1:37 pm using AcqMethod EM31492 Srmple Name: 0595-19h ~ ~ ' " Micc Info : Vinl Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % Total Ion Chromatogram
'1.405 197613699 22.345 100.000
-1.542 70121487 7.929 35.484 1.944 5393747 0.610 2.729 2.460 32778728 3.706 16.587 2.579 76773229 8.681 38.850 4.578 8528096 0.964 4.316 11.491 5059474 0.572 2.560 12.097 8213896 0.929 4.157 12.991 6634078 0.750 3.357 19.151 2837174 0.321 1.436 19.504 15674952 1.772 7.932 19.840 14146190 1.600 7.159 20.475 45977308 5.199 23.266 20.737 8719303 0.986 4.412 21.339 3949036 0.447 1.998 24.134 1803210 0.204 0.912 24.275 5439616 0.615 2.753 24.735 2711508 0.307 1.372 27.326 7881627 0.891 3.988 30.824. 81490284 9.214 41.237 31.443 162604146 18.386 82.284 32.075 85109813 9.624 43.069 32.759 24844126 2.809 12.572 32.981 7296761 0.825 3.692 33.169 2790731 0.316 1.412 C:\HPCHEM\1\ DATA \EM31433H.D Mon Jul 24 10:18:01 1995 Page 1
Iop .55'00: (54.70 to 55.70): EM31433H.D 0595-19h - Pack #. Ret Time Type Width Area Start Time- End Time 1 2.461 BV 0.036 18006399 2.414' 2.550 9
Io.n 69.00 (68.70 to 69.70): EM31433H.D 0595-19h Pack # Ret Time Type Width Area Start Time End Time 1 2.581 BB 0.039 13331174 2.533 2.761 O
File : C:\HPCHEM\1\ DATA \EM31433I.D Operator- : Marti Acquired : 21 Jul 95 3:41 pm using AcqMethod EM31492 Instrument : 5972 33 Sample Name: 0595-191 Misc Info : Vial Number: 1 FIGURE J7 Abundance UI;: p 31433I.D t . I l
!6500000-dj 4- -
i i 4 l6000000d 4 j i 5500000_ 4
' 5000000j j 4500000. j l
, i l i !
' 1 4000000 l.
1 3500000J l 4 t i 3000000.j i i I' 2500000) 1 l 1 1 , l20000002 2 i , I- : ! ,
!1500000_ '.
g a ! 1000000 " i 4 l
- , (
a i
... , 5 0 0 0 0 0 .' i iI !
F : l l l t Ljfk'd}Q , I j o TJulk),MAdk#hd-30!00
.- I
- Time--> 10.00 20.00. l
File : C:\HPCHEM\1\ DATA \EM31433I.D Operator : Marti Acquired : 21 Jul 95 3:41 pm using AcqMethod EM31492 Instrument : 5972 - 33 Sample Name: 0595-19i Misc Info : Vial Number: 1 j l i FIGURE 18 AbundTnce Ion 55.00 (5470~~Eo 55. 70) : EM3T4331.D 2.p7 t
! 400000. ' i i -
3500003 *
; i 300000; 2500002 .
(
, 200000. 3 6
150000; . i i : [
! 100000- f l
, 2158 50000; l1
, 1,
{ 0 '-- - AA 2 - N- - Time--> 1.'00 2.'00 3.00 4.'00 5.00 j
- Xbundance Ion 69.00 (68.70 to 69.70)
- EM314331.D t
. s ' I *
' 400000; l
i 2.59 , , 350000: ;
- . -)
300000? ' ; l
+ 250000- !! l l
i i i
' I
,' 2000002 , I l : ! l 150000;- j! { 4 i i, . . i - ! , l l 100000; lJ
'l t 50000; ,
i , : 5 0 .
~^ h A Time--> 1.00 2.00 3.00 4.00 5.00 __f; I
i
l t Informntion from Data File: File : C:\HPCHEM\1\ DATA \EM31433I.D ; operator : Marti i Acquired : 21 Jul 95 3:41 pm using AcqMethod EM31492
^
g 3 Scmple Name: 0595-191
' Misc Info :
Vial Number: 1 Scarch Libraries: C:\ DATABASE \NBS75K.L Minimum Quality: 0 Unknown Spectrum: Apex
- -~
Integration Params: AutoIntegrate , Pk# RT Area % Library /ID Ref# CAS# Qual f 1 1.42 19.28 C:\ DATABASE \NBS75K.L No matches found . 2 1.54 6.19 C:\ DATABASE \NBS75K.L [ No matches found 9 3 1.79 1.44 C:\ DATABASE \NBS75K.L No matches found ; i 4 1.94 1.67 C:\ DATABASE \NBS75K.L l Furan, 2-methyl- 463 000534-22-5 91 Furan, 2-methyl- 62666 000534-22-5.64 Furan, 2-methyl- 62665 000534-22-5 59 5 2.47 1.42 C:\ DATABASE \NBS75K.L 2-Propenoic acid, ethyl ester 63318 000140-88-5 91 l 2-Propenoic acid, ethyl ester 63319 000140-88-5 83 l 2-Propenoic acid, ethyl ~ ester 63317 000140-88-5 83 i 6 2.59 4.32 C:\ DATABASE \NBS75K.L 2-Propenoic acid, 2-methyl , methy 63329 000080-62-6 53 2-Propenoic acid, 2-methyl , methy 1484 000080-62-6 52 2-Propenoic acid, 2-na:hyl , methy 63330 000080-62-6 49 l 7 2.98 0.41 C:\ DATABASE \NBS75K.L Pyridine 62633 000110-86-1 64 Pyridine 62632 000110-86-1 64 Pyridine 62631 000110-86-1 53 8 3.27 0.23 C:\ DATABASE \NBS75K.L n-Hexylmethylamine 3165 035161-70-7 38 j 9 4.53 1.16 C:\ DATABASE \NBS75K.L t Pyridine, 3-methyl- 981 000108-99-6 96 l Pyridine, 3-methyl- 63045 000108-99-6 95 3 Pyridine, 3-methyl- 63044 000108-99-6 94 10 4.64 0.78 C:\ DATABASE \NBS75K.L , Pyridine, 3-methyl- 63045 000108-99-6 55 l Pyridine, 4-methyl- 980 000108-89-4 49 { Pyridine, 2-methyl- 977 000109-06-8 46 ; C:\HPCHEM\1\ DATA \EM31433I.D Fri Jul 21 16:22:29 1995 Page 1 ! l l
' Pk# RT Area % Library /ID Ref# CAS# Qual
-11 6.56 0.97 C:\ DATABASE \NBS75K.L Pyridine, 3,5-dimethyl- 2047 000591-22-0 95 Pyridine, 3,5-dimethyl- 63720 000591-22-0 94 Pyridine, 3,4-dimethyl- 2050 000583-58-4 94 32 8.74 2.09 C:\ DATABASE \NBS75K.L 2,3-Pyridinediamine 2194 000452-58-4 52 Phenol, 4-amino- 63816 000123-30-8 50 Nerinine 48936 000481-44-7 43 0.65 C:\ DATABASE \NBS75K.L 13 9.40 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 91 Benzene, 1-methoxy-4-methyl- 64712 000104-93-8 35 Pyrazine, 5-butyl-2,3-dimethyl- 67853 015834-78-3 32 14 10.52 0.21 C:\ DATABASE \NBS75K.L Ethanone, 1-(1-methyl-1H-pyrrol 64728 000932-16-1 80 1,4-Benzenediamine 63757 000106-50-3 64 3-Acetyl-1-methylpyrrole 4027 000932-62-7 64 15 10.56 0.48 C:\ DATABASE \NBS75K.L 1H-Pyrrole, 2,3,4,5-tetramethyl- 4056 001003-90-3 55 1H-Pyrrole, 3-ethyl-2,4-dimethyl- 4055 000517-22-6 50 1H-Pyrrole, 3-ethyl-2,4,5-trimethy 65853 000520-69-4 50 i
16 11.49 0.30 C:\ DATABASE \NBS75K.L Pentanedioic acid, 2-methyl , mono ~ 12301 072088-36-9 32 Dimethyl ethylbutane-1,4-dioate 16107 000000-00-0 16
- 6-Heptenoic acid, 3-oxo , methyl e 11390 030414-57-4 15 i
, 17 12.10 0.43 C:\ DATABASE \NBS75K.L i Pentanedioic acid, diethyl ester 19778 000818-38-2 87 Pentanedioic acid, diethyl ester 69155 000818-38-2 62
- 1-Naphthalenamine 66260 000134-32-7 38
- 18 13.00 0.33 C
- \ DATABASE \NBS75K.L
, Piperidine, 4-methyl- 63292 000626-58-4 27
- Piperidine, 4-methyl- 1421 000626-58-4 27
- Phosphoric acid, diethyl pentyl es 28532 020195-08-8 27 19 17.35 0.25 C
- \ DATABASE \NBS75K.L Phenol, 4-(1,1,3,3-tetramethylbuty 24424 000140-66-9 83
- Phenol, 4- (2,2,3,3 -tetramethylbuty 24409 054932-78-4 72
- Phenol, 4 - (1,1, 3 , 3 - te t rame t hylbuty 70047 000140-66-9 72 20 19.51 0.88 C
- \ DATABASE \NBS75K.L Benzo [b] thiophene, 2-(butylthio)- 28074 054965-46-7 25 Flavone 28172 000525-82-6 15 Thiazolo [4,5-f] quinoline , 7-methyl 22884 003119-54-8 11 21 19.84 0.84 C:\ DATABASE \NBS75K.L 7 , 8 - Dihydro me t hyl ( 6H ) pyra zolo [ 3 27965 000000-00-0 27 3-Cyclobutene-1,2-dicarboxylic aci 34695 055673-96-6 25 Benzo (b] thiophene, 3-(butylthio)- 28072 054965-44-5 22 C:\HPCHEM\1\ DATA \EM31433I.D Fri Jul 21 16:22:49 1995 Page 2
'Pk# RT Area % Library /ID Ref# CAS# Qual i l 22 20.47 2.35 C:\ DATABASE \NBS75K.L 3-(3-Methoxyphenyl) propionic acid 24861 007116-39-4 38 Pyridine, 2-ethyl-4,6-dimethyl- 6309 001124-35-2 14 Pyridine, 2,6-diethyl- 6323 000935-28-4 14 23 20.74 0.62 C:\ DATABASE \NBS75K.L 1H-Purin-6-amine, N-methyl- 66644 000443-72-1 18 Benzaldehyde, 4-(dimethylamino)- 66650 000100-10-7 18 4-Pyridinecarboxaldehyde, 3-hydrox 14236 000066-72-8 14 1 0.30 C:\ DATABASE \NBS75K.L 24 20.80 Ethanol, 2-(4-(1,1-dimethylethyl)p 21346 000713-46-2 47 4,2-Cresotic acid, 6-methoxy , bim 59820 019314-74-0 43 p-tert-Amyl phenoxy ethanol 24939 006382-07-6 42 25 21.34 0.22 C:\ DATABASE \NBS75K.L - Butylated Hydroxytoluene 70550 000128-37-0 47 Butylated Hydroxytoluene 27705 000128-37-0 47 7-Phenylisoquinoline 24118 070125-65-4 47 26 24.28 0.41 C:\ DATABASE \NBS75K.L Ethanol, 2-(2-(4-(1,1,3,3-tetramet 41793 002315-61-9 92 1-Aminoanthraquinone-2-carboxaldeh 34107 006363-87-7 35 Benzenamine, N,N-dimethyl-4-(2-phe 28442 000838-95-9 30 27 24.43 0.17 C:\ DATABASE \NBS75K.L 3-(2-Hydroxy-6-methylphenyl)-2-met 36963 000000-00-0 53 2 - ( 4 - Cyanophe nyl ) dime thylaminom 34091 000000-00-0 45 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 45 28 27.02 0.46 C:\ DATABASE \NBS75K.L Phosphoric acid, triphenyl ester 73338 000115-86-6 99 Phosphoric acid, triphenyl ester 73337 000115-86-6 68 Phosphoric acid, triphenyl ester 46311 000115-86-6 64 29 27.34 8.93 C:\ DATABASE \NBS75K.L Octicizer 50542 001241-94-7 78 7-Amino-2,3-dihydro-5-phenyl-1H-1, 34112 004928-02-3 53 2 - ( 4 - Cyanophenyl ) dime t hylaminom 34091 000000-00-0 42 , l 30 27.56 0.36 C:\ DATABASE \NBS75K.L 2H-1-Benzopyran-2-one, 7-amino-4-m 16440 026093-31-2 50 Benzene, 1,4-bis (1,1-dimethylethyl 20394 001012-72-2 30 , l Benzene, 1,4-bis (1,1-dimethylethyl 69257 001012-72-2 12 31 27.91 1.99 C:\ DATABASE \NBS75K.L 2-Butanol, 3-methoxy- 1908 053778-72-6 43 2-Propanol, 1-(2-(2-methoxy-1-meth 24251 020324-33-8 40 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 38 32 28.04 2.75 C:\ DATABASE \NBS75K.L Propane, 1-ethoxy-2-methyl- 1772 000627-02-1 46 Butane, 2-methoxy-3-methyl- 1791 062016-49-3 43 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 43 ; 1 C:\HPCHEM\1\ DATA \EM31433I.D Fri Jul 21 16:23:09 1995 Page 3
Pk# RT Areat Library /ID Ref# CAS# Qual 33 28.22 2.45 C:\ DATABASE \NBS75K.L 2-Propanol, 1-[2-(2-methoxy-1-meth 24251 020324-33-8 40 2-Butanol, 2,3-dimethyl- 63571 000594-60-5 38 Butanamide, 3-methyl- 1621 000541-46-8 38 34 30.86 11.83 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (3-methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 91 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 90 31.47 15.82 C:\ DATABASE \NBS75K.L 35 Phosphoric acid, tris (3-methylphen 51124 000563-04-2 99 Phosphoric acid, tris (methylphenyl 51123 001330-78-5 94 Phosphoric acid, tris (methylphenyl 73955 001330-78-5 91 36 32.09 5.64 C:\ DATABASE \NBS75K.L c Phosphoric acid, tris (3-methylphen 51124 000563-04-2 98 l Phosphoric acid, tris (methylphenyl 51123 001330-78-5 93 j Phosphoric acid, tris (methylphenyl 73955 001330-78-5 91 37 32.77 0.81 C:\ DATABASE \NBS75K.L Phosphoric acid, tris (4 -methylphen 51126 000078-32-0 97 Phosphoric acid, tris (3-methylphen 51124 000563-04-2 87 Phosphoric acid, tris (methylphenyl + 51123 001330-78-5 87 38 34.87 0.58 C:\ DATABASE \NBS75K.L 2,6,10-Dodecatrien-1-ol, 3,7,11-tr ~ 28198 000106-28-5 59 d 2,6,10-Dodecatrien-1-ol, 3,7,11-tr 70627 004602-84-0 42 l 2,6,10-Dodecatrien-1-ol, 3,7,11-tr 28243 004602-84-0 42 r 4 j l I i i i 4 i i t i C:\HPCHEM\1\ DATA \EM31433I.D Fri Jul 21 16:23:21 1995 Page 4
Area Percent Report -- Sorted by Signal Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433I.D Operator : Marti Acquired : 21 Jul 95 3:41 pm using AcqMethod EM31492 Srmple Name: 0595-191 Misc Info : - -- Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % Total Ion Chromatogram 1.417 316022787 19.275 100.000 1.542 101480601 6.190 32.112 1.791 23639129 1.442 7.480 1.947 27396601 1.671 8.669 2.468 23209640 1.416 7.344 2.585 70761564 4.316 22.391 2.983 6770464 0.413 2.142 3.264 3694934 0.225 1.169 4.530 18951983 1.156 5.997 4.637 12857766 0.784 4.069 6.559 15983006 0.975 5.058 8.740 34345227 2.095 10.868 9.401 10586125 0.646 3.350 10.512 3475355 0.212 1.100 10.564 7859755 0.479 2.487 11.493 4931502 0.301 1.560 12.100 6972944 0.425 2.206 12.995 5409658 0.330 1.712 17.344 4127628 0.252 1.306 19.506 14357585 0.876 4.543 19.842 13708254 0.836 4.338 20.475 38609439 2.355 12.217 20.738 10130589 0.618 3.206 20.790 4867498 0.297 1.540 21.339 3605383 0.220 1.141 24.274 6753718 0.412 2.137 24.436 2836842 0.173 0.898
.27.017 7486962 0.457 2.369 27.343 146352838 8.926 46.311 27.553 5902943 0.360 1.868 27.917 32645861 1.991 10.330 28.049 45095359 2.750 14.270 28.218 40134246 2.448 12.700 ,
30.853 193904336 11.827 61.358 l 31.468 259370009 15.820 82.073 i l C:\HPCHEM\1\ DATA \EM31433I.D Fri Jul 21 16:22:09 1995 Page 1
. . . . . -- . . - - - - = _ . - - _ . - - .
i l Area Percent Report -- Sorted by Signal i Information from Data File: File : C:\HPCHEM\1\ DATA \EM31433I.D Operator : Marti Acquired : 21 Jul 95 3:41 pm using AcqMethod EM31492 . Simple Name: 0595-191 l~ Misc Info : - - Vial Number: 1 CurrentMeth: C:\HPCHEM\1\ METHODS \EM31492.M Retention Time Area Area % Ratio % 32.084 92548576 5.645 29.285 32.769 13269062 0.809 4.199 34.871 9479381 0.578 3.000 i l t I C:\HPCHEM\1\ DATA \EM31433I.D Fri Jul 21 16:22:10 1995 Page 2 l
r Ion
~
55.00 (54.70 to 55.70) : EM31433I.D 0595-191 P:ck# Ret Time Type Width Area Start Time End Time 1 2.470 BV 0.047 13198805 2.368 2.560 2 2.579 VV 0.067 2055551 2.560 2.759 P e l l
Icn 69.00 (68.70 to 69.70) : EM31433I.D 0595-191 Pack # Ret Time Type Width , Area Start Time End Time 1 2.587 PV 0.047 11678897 2.432 2.864 l l 1}}