NYC 9/11 Public Portal Document
Library Search compound Report
Data File : C:\MSDCHEM\1\5973N\02JAN11\00467.D Vial: 7
Acq On : 11 Jan 2002 7:05 pm Operator:
Sample : 508 scan Inst : Instrumen
Mise : January 11, 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 Valine, 3-[sulfothio]- Concentration Rank 10
R.T. EstConc Area Relative to ISTD R.T.
23.68 0.17 ug/L 105722 Phenanthrene-dl0 22.65
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 Valine, 3-[sulfothio]- 229 C5H11NO5S2 000000-00-0 33 O
2 2-Ally-l-methoxy-3-(methoxymethy... 192 C12H1602 128920-02-5 9 Grv”
3 (IR,3aS,7aS)-7a-Hydroxyethyl -1,4... 224 C14H2402 128790-34-1 9 vao
4 N-Methyl-1,2,4-dithiazolidine-3,... 149 C3H3NO2S2 018137-43-4 7
Abundance Scan 1779 (23.684 min): 00467.D (-) m/z 63.90 100.00%
64
5000
96
149
160
224
W/w
43 84 128 194
23.40 23.60 23.80 24.00
Wz->
0 " i * • ■ *r " ■ r 11111111 TTT L
' i " " r ■ ■'
40 50 60 70 80 90 100110120130140150160170180190200210220230
’ ■ i"1' i • ‘" i11" r " ■ r • ■ • i1 Tp-f m/z 159.80
/
75.44%
Abundance #157749: Valine, 3-[sulfothio]-
64
75
5000 48
160 23.40 23.60 23.80 24.00
m/ Z 149.00 61.94%
87 96 114 128 194
m/z->
0 i" ’ ■ r m
40 50 60 70 80 90 100110120130140150160170180190 200210220 230
L22
Abundance #103271:2-Ally-1-methoxy-3-(methoxymethyl)benzene $$ Benz...
160
1B.T
145 23.40 23.60 23.80 24.00
5000 115 129 m/z 223.80 47.04%
91 /
77
192
0 i" "i1" ’ i ’" * i" " i ‘" ■ i • •" r •'11 ■ ′′′ i i" • • i i ■ ■ ■' i" " i1"' i" "r'" i" " i' ■
•n/z-> 40 50 60 70 80 90 100110120130140150160170180190200210220230
Abundance #151530: (1R,3aS,7aS)-7a-Hydroxyethyl-1,4,4-trimethylhexah...
64 192 23.40 23.60 23.80 24.00
m/z 95.90 38.26%
160
/Wisw
128
5000
55 96
81
109 224
o T’TTT p-rrrp-rrrp- i" " i" " i । • ■ ■ ■ । ■1111 "i"
Tl/Z-> 40 50 60 70 80 90 100110120130140 150160 170 180190 200210220 230 23.40 23.60 23.80 24.00
00467.D SCAN508.M Mon Jan 14 10:47:07 2002 Page 9
NYC-WTC_000051465
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