NYC 9/11 Public Portal Document
Library Search Compound Report
Data File : C:\MSDCHEM\1\DATA\052202\11799.D Vial: 6
Acq On : 22 May 2002 5:54 pm Operator: Mclean
Sample : 5/21 ad Inst : Instrumen
Mise Multiplr: 1.00
MS Integration Params: LSCINT.e
2**
Quant Method : C:\MSDCHEM\1\METHODS\050102.M (Chemstation Integrator)
Title : 508 Modified GC/MS scan
Library. : C:\DATABASE\NIST98.L
*********************************************************************
Peak Number 13 4-Hydroxy-3,5-dimethylcinna... Concentration Rank 18
R.T. EstConc Area Relative to ISTD R.T.
22.54 0.29 ug/L 343483 Phenanthranene-dl0 22.92
Hit# of 5 Tentative ID MW MolForm CAS# Qual . •
1 4-Hydroxy-3,5-dimethylcinnamic acid 192 C11H1203 1000132-15-8 59
2 Thiocyanic acid, 2-benzothiazoly... 192 C8H4N2S2 006011-99-0 50
3 (+)-Calycotomine 223 C12H17NO3 1000127-35-0 50
4 Phenanthrene, 3-methyl- 192 C15H12 000832-71/3 40
Abundance Scan 3312 (22.539 min): 11799.D (-3304) (-) m/z 192.10 0.00%
192
5000
on 96 146 160
1 1
' ■ । ■ ■ ■ ■ । ■ ■ ■ ■ ।
22.20 22.40 22.60 22.80
'1 ‘ i1 ‘ ' i
40 54 66 82 i 118 । 10
01 mmmmthnmmpmHlmmmt m/z 191.10 20.18%
mfz~> 40 50 60 70 80 90 100110120130140150160170180190200210220230
Abundance #81030:4-Hydroxy-3,5-dimethylcinnamic acid
192
5000 1 ■ i ■ ■ • • i ■ ■ ■ ■ । ■ ‘ ■ • i ■ 1 • ■ ।
22.20 22.40 22.60 22.80
89 175 m/z 146.10 12.99%
63 117 145
45
44Llll+l++4 . , i. |*i'l > 11. 111111 m 111 > 1111111 rj 111111
4 105 117 111135
. । mr | 111 163
0- pt THH 4
mfz~> 40 50 60 70 80 90 100110120130140150160170180190200210220230
Abundance #80870: Thiocyanic acid, 2-benzothiazolyl ester
192
-A22.20 22.40 22.60 22.80
5000 m/z 96.00 12.94%
45 |f , , 90 T 122 134 148 160..
0 m l........................
I Ji, J|.. 1, 11... |.. I > |. 111'l 11111111111 hl 11 ■ > i fn n tr#n > 111111 > 11 10210000100110170013
m/z-> 40 50 60 70 80 90 100110120130140150160170180190200210220230
Abundance #80989: (+)-Calycotomine
19/2 22.20 22,40 22.60 22.80
m/z 193.10 12.74%
5000
176 M
41 51 65 77 91 104 118 131 148 160 | | 205 223
0 TTTTTTTTTTTmThtpmtttpt pnpg
iz-> 40 50 60 70 80 90 100110120130140150160170180190 200 210 220 230 22.20 22.40 22.60 22.80
11799.D 052202.M Tue May 28 12:02:59 2002 Page 16
NYC-WTC_000012814
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