NYC 9/11 Public Portal Document
Library Search Compound Report
Data File C:\MSDCHEM\1\DATA\050802\10303.D Vial: 6
Acq On 8 May 2002 5:53 pm Operator: Mclean
Sample 5/1 eh 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 3 3-Thio-1,2,4 -triazin-3,5(2H... Concentration Rank 7
R.T. EstConc Area Relative to ISTD R.T.
5.07 0.23 ug/L 192746 1,4-Dichlorobenzene-d4 9.93
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 3-Thio-1,2,4-triazin-3,5(2H,4H)-.. . 129 C3H3N30S 1000213-20-1
2 Thiophene, 2-nitro- 129 C4H3NO2S 000609-40-5/ 7
3 Pyrazole, l-methyl-4-nitro- 127 C4H5N302 003994-50 1 5
4 4-Chloro-6-aminopyrimidine 12 9 C4H4C1N3 005305-5 9-9 5
Abundance Scan 339 (5.071 min): 10303.D (-335) (-) m/z 128.90 100.00%
12.9
5000
-
35 42 48 79
91
....1
0- 1 1 i ■ 11 1 i ' ' 1 1 I ■ 1 1 1 i ' ' 1 1 i 1 1 1 1 1 ' 1 1 1 i '
4.80
m/z 126.90
5.00 5.20 5.40
67.02%
m/z-> 30 40 50 60 70 80 90 100 110 120 130 140
Abundance #58194: 3-Thio-1,2,4-triazin-3,5(2H,4H)-dione
42 129
5000
60 4.80 5.00 5.20 5.40
m/z 48.00 18.12%
71 86
01" i ' ' " i'1 144 'i I|l i'i'.78 | 95 101 113
‘I । ।1‘l‘* । । ■ । -1 ।1 ■ i ■ ' । । । । I ■ । 'I1' 111
m/z-> 30 40 50 60 70i 801 90 100 110 120 130 140
Abundance #58233: Thiophene, 2-nitro-
12.9
' ■ ■ । - ■ ■
45 55 4.80 5.00 5.20 5.40
5000- m/z 78.90 17.39%
99
71 83
113
O'" | " " I ' ■ 1H +1—64,44— TfOO—uf ) ... | I1' I I | I I । |‘ I I I | I
/z-> 30 40 50 60 70 80 90 100 110 120 130 140
Abundance #57463: Pyrazole, 1 -methyl-4-nitro- 1 1 ■ ■ । 1 1 1 1 । 1 ' 111*11’1’’’’
127 4.80 5.00 5.20 5.40
m/z 35.10• 14.86%
5000
42 4 A
,I 52 66 80 97 111
01^ 1 1 1 I I I I-1 I I ' I > I J-1 I I 11 I I I I I I 1 I 1 I I r—I—I—— I I I 1 1 [ 1—1—I—I I I I H1111i
m/z-> 30 40 50 60 70 80 90 100 110 120 130 140 4.80 5.00 5.20 5.40
10303.D 050102.M Thu May 09 13:49:51 2002 Page 6
NYC-WTC_000045085
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