NYC 9/11 Public Portal Document
Library Search Compound Report
Data File C:\MSDCHEM\1\DATA\050602\9968.D Vial: 25
Acq On 7 May 2002 7:14 am Operator: Mclean
Sample 4/25 Inst Instrumen
Mise Multiplr: 1.00
MS Integration Params: LSCINT.e
Quant Method : C:\MSDCHEM\1\METHODS\050102.M (Chemstation Integrator)
Title : 508 Modified GC/MS scan
Library : C:\DATABASE\NIST98.L
*********************************************************************
Peak Number 9 5,8,11-Heptadecatriynoic ac... Concentration Rank 5
R.T. EstConc Area Relative to ISTD R.T.
34.88 0.39 ug/L 260714 Perylene-dl2 34.71
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 5,8,11-Heptadecatriynoic acid, m... 272 C18H2402 056554-57-5 9
2 3-Mercapto-5-ethyl-1,2,4-triazole 129 C4H7N3S 007271-45-6 5
3 Perylene-dl2 264 C20D12 001520-96-3 •
4 7,12a-Dimethyl-l,2,3,4,4a,11,12,... 264 C20H24 075758-27 •9 5
Abundance Scan 5412 (34.878 min): 9968.D (-5411) (-) m/z 129.50 100.00%
129
264
5000
207
34.60 34.80 35.00 35.20
44 73
i r [ i i i i । I i i i । i i ii । i r r • | > i i r । 1 11111 ■ ■ । ■ ■ ■11 ■1'11'11 ■ ।'1 ■11'11 I ■
TrI m/z 130.80 70.19%
/z—> 20 40 60 80 100 120 140 160 180 200 220 240 260
Abundance #58427: 5,8,11-Heptadecatriynoic acid, methyl ester
129
141
41 — 91 115 155
5000 29 Til I I
A < I
___________ A
I I I ill I ] I I I I II
74
34.60 34.80 35.00 35.20
169
103 i l 183। 197 215 229 241 m/ z 128.10 65.66%
m/z-> 20
|l Jlulool444444r , ", , ll
T—TTTTTTTTr
40 60 80 100 120 140 160 180 200 220 240
" 277,272
260
Abundance #58411: 3-Mercapto-5-ethyl-1,2,4-triazole
129
34 60 34.80 35.00 35.20
5000 m/z 264.10 52.05%
70
41 56 91
........... i J., I, , Il 114
I I I I ' I I I I I ’ ’I I I ■ ■ i ■ ■ ■ ■ i ■ ■ ■ ■ i ■ > ' ' I 1 । 1 I । । । 1 । । < । । i ।
■ ।11 ‘11'11111
m/z->______ 20 40 60 80 100 120 140 160 180 200 220 240 260
Abundance #95141: Perylene-d12 11।111'i71 ■ । । 1 1 ■ । । j ‘
264 34.60 34.80 35.00 35.20
m/z 132.80 45.79%
5000
132
28
। ■ i ■ । । ■ ■ • ■ ।
76 88 102
। । ■ 1 ■ > । 118 ............. 194 208 232 TTI
■11’1/7.1 i | i i r > | ■ 1 > । | I I I I | I I I I | I | ■ > I 1T0 ..........
1 1 i ' ■ 1 1 i
' TI
/z-> 20 40 60 80 100 120 140 160 180 200 220 240 260 34.60 34.80 35.00 35.20
9968.D 050102.M Tue May 07 15:47:03 2002 Page 13
NYC-WTC_000043955
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