NYC 9/11 Public Portal Document
Library Search Compound Report
Data File : C:\MSDCHEM\1\DATA\051402\10981.D Vial: 10
Acq On : 14 May 2002 8:50 pm Operator: Mclean
Sample : 5/10 kb Inst : Instrumen
Mise Multiplr: 1.00
MS Integration Params: LSCINT.e
Quant Method : C:\MSDCHEM\l\METHCDS\050102.M (Chemstation Integrator)
Title : 508 Modified GC/MS scan
Library : C:\DATABASE\NIST98.L
Peak Number 7 Isobenzofuran-1,3-dione, 4,. Concentration Rank 8
R.T. EstConc Area Relative to ISTD R.T.
31.01 0.43 ug/L 475200 Chrysene-dl2 30.81
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 Isobenzofuran-1, 3-dione, 4,5-dim... 208 C10H8O5 001567-56-2 9
2 6-Amino-2-(m-tolyl)-1,3,5-thiadi... 235 C10H9N3S2 094014-50-35
3 3-Chlorothiophene 118 C4H3C1S 017249-80-8 5
4 1-Bromopropadiene-1,2 118 C3H3Br 1000222-14-2 4
Abundance Scan 4754 (31.012 min): 10981.0 (-4753) (-) m/z 44.10 100.00%
44 106
118
208 239
Ah/wapteMMw
5000
30.60 30.80 31.00 31.20 31.40
0- ' ’ i 1 1 ' ' i । 1 । । -1 ■ ■ 1 ■ । ■ ■ ■ ■ i 1 1 1 1 i 1 1 ■ ■ । ‘ ‘ | ■ ■ ■ ■ | r m/z 106.00 97.57%
m/z-> 20 40 60 80 100 120 140 160 180 200 220 240
Abundance #84979: Isobenzofuran-1,3-dione, 4,5-dimethoxy-
44 78 208
104
135
5000 1BT 1 '"1 1 1 1 1 1 1 1
65 163 179 30.60 30.80 31.00 31.20 31.40
122 m/z 118.00
150 75.00%
93
miz->
0- ) —la1 1udqu4l l ,44l th 4 +
20 40 60 80 100 120 140 160 180 200
TT
190
—77, IT
220 240
Abundance #53046: 6-Amino-2-(m-tolyl)-1,3,5-thiadiazine-4-thione
118
IT 1 ' i ■ ' r ■ i ■ ■
235 30.60 30,80 31.00 31.20 31.40
5000 m/z 116.10 73.26%
91
43 65 143
n/z->
01 -4l,u77l,
20 40 60 80
104 177 202
I , ’IIIIII-
- '1 ’ ’’[1-II
100 120 140 160 180 200
Alal,— 220 240
Abundance #52766:3-Chlorothiophene
1 8 30.60 30.80 31.00 31.20 31.40
m/z 207.95 62.15%
83
5000 45
58
n/z->
0
12
■ ■ ■ i ■
20
32|
40
1,681801-44
60 100 120
TTT
140 160 180 200 220 240 30.60 30.80 31.00 31.20 31.40
10981.D 050102.M Thu May 16 14:37:16 2002 Page 10
NYC-WTC_000023918
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