NYC 9/11 Public Portal Document
Library Search Compound Report
Data File : C:\MSDCHEM\1\5973N\02JAN22\31664.D Vial: 1
Acq On : 22 Jan 2002 2:41 pm Operator:
Sample : 508 scan Inst : Instrumen
Mise : January 22, 2002 Multiplr: 1.00
MS Integration Params: LSCINT.P
Quant Method : C:\MSDCHEM\1...\SCAN508.M (RTE Integrator)
Title : 508 scan method
Library : C:\DATABASE\WILEY7N.L
*********************************************************************
Peak Number 7 3-Hydroxy-2,2,4-trimethyl-3... Concentration Rank 11
R.T. EstConc Area Relative to ISTD R.T.
16.55 0.03 ug/L 13088 Acenaphthene-dl0 18.34
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 3-Hydroxy-2,2,4-trimethyl-3-pent ... 140 C8H12O2 003173-79-3 5 1O
2 Pyrazine, 2-methyl-3-(methylthio... 140 C6H8N2S 002882-20-4 5
3 4-Isopropylcyclohexanone $$ Cycl... 140 C9H160 005432-85-9 5
4 1,3-Cyclopentanedione, 2-acetyl-... 140 C7H803 003859-39-0 5
Abundance Scan 1154 (16.549 min): 31664.D (-) m/z 140.10 100.00%
140
5000
122 T T T T~r
172 16.20 16.40 16.60 16.80
nz-> 20
1U’ *1***4144141*
30 40
A
50 60 70 80 90 100 110 120 130 140 150 160 170
“ i “ ‘ • i1 ■ ■111 “ ■ i1 m/z 138.10 39.05%
Abundance #35758:3-Hydroxy-2,2,4-trimethyl-3-pentenoic acid .beta.-...
70
42
5000 T T Tr
81 140 16.20 16.40 16.60 16.80
m/z 122.10 28.96%
27 96
111, 1111 4 mmrpeHHyre mp
■ i“ ■ ■ i■■ ■ ■ i ■ ■ i “ ‘ ■ i" " i ■ ■ “ i ■'1 ■ i “ " i1
iz-> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
Abundance #35175: Pyrazine, 2-methyl-3-(methylthio)- (CAS) $$ 2-Meth...
140
16.20 16.40 16.60 16.80 ' ‘ ‘ '
5000 107
m/z 172.20 23.83%
42 125
66 84 94
■ i “ “ i “111
J__1
1' i'1 ■ ■ i “1 ■ i1 ■ ■ ■ i ‘ I I I I > I I l I ( > j l > । ‘ i • “ ■ i'" ■ i1
miz-> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
Abundance #36265: 4-lsopropylcyclohexanone $$ Cyclohexanone, 4-(1 -me... ‘ ‘ I ‘ ‘ ' I ‘ ‘ l ■ ‘ • I ■ ‘ ‘ I '
40 16.20 16,40 16.60 16.80
69 140
84
m/z 136.10 20.77%
55
5000 97
107 122
i
■ i ■ ■ ■ ■ i “ “ i “ “ i ■ ■' ■ i ■ “ • i' “ ■ i ■ . ■i‘ 'l ‘ ■ i •■ । ■i ’ I’* ■ “ • । ‘ । ■ ■ ■ ■ । ■ ■ ■ ■ । ■ ■ ' i ■ ■ ' ■ i ' ' i ■ ■ • ■ i ' ■ • ■ i ■
mfz-> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 16.20 16.40 16.60 16.80
31664.D SCAN508.M Thu Jan 24 14:00:06 2002 Page 9
NYC-WTC_000050270
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