NYC 9/11 Public Portal Document
Library Search Compound Report
Data File : C:\MSDCHEM\l\DATA\061102\12763.D Vial: 7
Acq On : 11 Jun 2002 2:46 pm Operator:
Sample : re-ext. Inst : Instrumen
Mise : Multiplr: 1.00
MS Integration Params: LSCINT.e
Quant Method : C:\MSDCHEM\1\METHODS\060302.M (Chemstation Integrator)
Title : 508 Modified GC/MS scan
Library : C:\DATABASE\NIST98.L
Peak Number 19 3-Thiophenecarboxylic acid Concentration Rank 19
R.T. EstConc Area Relative to ISTD R.T.
34.85 0.25 ug/L 143783 Perylene-dl2 34.65
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 3-Thiophenecarboxylic acid 128 C5H402S 000088-13-1 9
2 3-Thiophenecarboxylic acid 128 C5H4O2S 000088-13-1 9
3 1H-Pyrrole, 1,1',1" -borylidynet... 209 C12H12BN3 018899-90-6 7
4 Quinoline, 2-(1-methyl-lH-imidaz... 209 C13H11N3 002552-97-8 7
Abundance / Scan 5407 (34.849 min): 12763.D (-5405) (-) m/z 131.60 100.00%
131
96
111
208
5000
44
69 262
57 34.60 34.80 35.00 35.20
0- - • i ■ ■
I
1 ■ i ■ ■ ■ ■ i ■ 1
1
I' ■ • ■ l ' i 1 1 ■ ‘ ' j 1 1 ‘ i 1 1 1 ' 1 ! ‘ T TTi ■■!■■■■ 1 ■ m/z 96.10 72.52%
miz-> 20 40 60 80 100 120 140 160 180 200 220 240 260
Abundance #120125:3-Thiophenecarboxylic acid
1* 1
128
5000 39
34.60 34.80 35.00 35.20
83
4
m/z 111.10 65.65%
57
O—PTT —+ .7, 1,85/ ■. 95. ,...0
miz-> 20 40 60 80 120 140 160 180 200
100 220 240 260
Abundance #50470:3-Thiophenecarboxylic acid
1* 1
128
34.60 34.80 35.00 35.20
5000 m/z 207.90 55.98%
39
83
n/z->
12 26
0- '"I f1
20 40
4576069495,4
.80 100 120 140 160 180 200 220 240 260
■ ' i ■ ‘ ■ i ■ • ■ ■ i ' ■ ■ ■ i ■ ■ ■ ■ i T4 । । । । । । i । । i muu) Ls
Abundance #85124:1H-Pyrrole, 1,1’,1"-borylidynetris-
208 34.60 34.80 35.00 35.20
m/z 209.00 49.62%
5000
143
39 51 63 76 89 1,6
n/z->
o —20271144104 128.4,15519714],—
40 60 80 100 120 140 160 180 200 220 240 260
LLaA
34.60 34.80 35.00 35.20
12763.D 060302.M Tue Jun 11 15:54:23 2002 Page 22
NYC-WTC_000015830
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