NYC 9/11 Public Portal Document
Library Search Compound Report
Data File C:\MSDCHEM\1\DATA\050802\10305R.D Vial: 26
Acq On 9 May 2002 12:56 pm Operator: Mclean
Sample re-inj 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 7 Thiocyanic acid, 2-benzothi... Concentration Rank 11
R.T. EstConc Area Relative to ISTD R.T.
22.58 0.31 ug/L 357652 Phenanthranene-dl0 22.95
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 Thiocyanic acid, 2-benzothiazoly... 192 C8H4N2S2 006011-99-0 53/
2 4-Hydroxy-3,5-dimethylcinnamic acid 192 C11H1203 1000132-15-8/42
3 Bitoscanate 192 C8H4N2S2 004044-65-938
4 2-Imidazolidinone, 1-methoxy-3-p... 192 C10H12N2O2 052420-43-6 37
Abundance Scan 3319 (22.580 min): 10305R.D (-3311) (-) m/z 192.10 100.00%
192
5000
_ 82 96 146 160
m
22.20 22.40 22.60 22.80 23.00
42 52 ,70 . ,| 118
0 aT TTITTT 1 ''I'1 mng 111 n m/z 191.10 22.03%
m/z-> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Abundance #80870: Thiocyanic acid, 2-benzothiazolyl ester
192
5000
22.20 22.40 22.60 22.80 23.00
m/z 146.10 15.68%
45 68
-
90 108 122
134
I 148 160
A
/z—>
0 H TT TTTTTTTHT
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Abundance #81030:4-Hydroxy-3,5-dimethylcinnamic acid
192
,...... ,.4....... .
22.20 22.40 22.60 22.80 23.00
5000 m/z 193.00 12.91%
89 175
L 63 117 145
0 ---H44+4l
45 J 77 105 |7 135 | 163
I r’l'ri | Ittrrt i i i । t‘r i ""rl" 1 । । p'l i i | rrl 11IIII I—
mlz-> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Abundance #80930: Bitoscanate
192 22.20 22.40 22.60 22.80 23.00
m/z 96.00 11.00%
5000
134
90 160
50 63 75
m/z->
0 +A-HH+ rrl i | l'i । i 11 । I । |'l । । i । , 107116
20 30 40 50 60 70 80 90 100 110 120 130 140 1 50 160 170 180 190 200
148
i1 "■| i"11 "It ' I " 111 " " I L 22.20 22.40 22.60 22.80 23.00
10305R.D 050102.M Thu May 09 13:51:05 2002 Page 10
NYC-WTC_000045127
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