NYC 9/11 Public Portal Document
Library Search Compound Report
Data File : C:\MSDCHEM\1\5973N\02FEB26\02015.D Vial: 3
Acq On : 26 Feb 2002 11:57 am Operator:
Sample : 508 scan Inst : Instrumen
Mise : February 2 6, 2002 Multiplr: 1.00
MS Integration Params: LSCINT.P
Quant Method : C:\MSDCHEM\l-..\HP022102.M (RTE Integrator)
Title : 508 scan method
Library : C:\DATABASE\WILEY7N.L
Peak Number 4 Isothiazole, trimethyl- $$ ... Concentration Rank 6
R.T. EstConc Area Relative to I STD R.T.
4.95 0.09 ug/L 42954 1,4-Dichlorobenzene-d4 9.72
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 Isothiazole, trimethyl- $$ 3,4,5... 127 C6H9NS 039228-36-9 14
2 Isothiazole, trimethyl- (CAS) $$... 127 C6H9NS 039228-36-9 14
3 hexyl glycolate $$ hexyl hydroxy... 160 C8H1603 037160-54-6 9
4 Acetaldehyde, trichloro- (CAS) $... 146 C2HC130 000075-87-6 9
Abundance Scan 140 (4.954 min): 02015. D (-) m/z 128.90 100.00%
129
43
5000 84
58
71
49 460 4.80 5.00 5.20
O—T 1 1 1 1 1 ' 1 1 1 1 ' i' ■ i ■ 1 1 ■ I' ■ ■ ' i ■ 1 i ■ 1 1 ■ i ■ ' ' ' i ■ ■ 1 ' i ■ ■ ■ ' i ■ ■
m/z 126.90 69.67%
m/z-> 20 30 40 50 60 70 80 90 100 110 120 130
Abundance #23583: Isothiazole, trimethyl- $$ 3,4,5-Trimethylisothiazole
127
5000- 112 ■ ' i ‘ ' 1 1 i 1 ' 1 1 i ' ' 1 1 i ' ' ■ ‘ i '
71 4 60 4.80 5.00 5.20
86 m/z 43.10 63.89%
39 45 53 59 | 94
0- — ■ I । 1 ■ ■ 1 । ■ i 1 ' ■ । ■ ■ । । । । ■ ■ ■ ■ । । 1 1 । 1 1 1 i 1 1
mz-> 20 30 40 50 60 70 80 90 100 110 120 130
Abundance #23584: Isothiazole, trimethyl- (CAS) $$ 3,4,5-TR I METHYL I...
127
M ,0. A 11, VA/w
460 4.80 5.00 5.20
5000 m/z 83.90 44.46%
112
71
45 53 59
86
94 apkw"Mnot
mfe->
0 । 1 ' 1 ' । ' 1 ' ' i ■ ■ ■ 1 i ‘
20 30 40 50
■ i ' 1 ■ ' j ■ ■ 11 1*
60 70 80 90 100
+ 1 . p. | I'
— —
110' 120 130
Abundance #59659: hexyl glycolate $$ hexyl hydroxyacetate $$ Acetic ...
■ ' i ' ' ' ' i 1 ' ' ' i 1 1 ■ ■ i ■ ■ ■ ' i ■
43 460 4.80 5.00 5.20
m/z 58.10 34.69%
5000
58
31 84
...... I ,, ..... II
0 [′′ 'i' 1 ' ' I 11 ' ' 1 1 ' ' i 1 ' ■ 1 i ■ ' ■ ■ i '■ 1.........................
’ ■ I ' 1 1 1 I ' ' ' ' 1 ' ' 1 1 I ' ' 1 ' I ' 1 ■ 1 । 1 ' 1 1 । 1 1 1 ' i ' ' ' 1 । 1 ■ ■ ■ । ■
m/z-> 20 30 40 50 60 70 80 90 100 110 120 130 4.60 4.80 5.00 5.20
02015.D HP022102.M Wed Feb 27 08:34:24 2002 Page 6
NYC-WTC_000004554
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