NYC 9/11 Public Portal Document
Llbrary searen compound Report
Data File C:\MSDCHEM\l\DATA\060602\12762.D Vial; 8
Acq On 6 Jun 2002 5:00 pm Operator: McLean
Sample 6/3 eh Inst : Instrumen
Mise Multiplr: 1.00
MS Integration Params: LSCINT.e
Quant Method : C:\MSDCHEM\1\METHODS\060302.M (Chemstation Integrator)
Title : 508 Modified GC/MS scan
Library : C:\DATABASE\NIST98.L
Peak Number 8 Butanoic acid, 2-methyl-, m. . Concentration Rank 6
R.T. EstConc Area Relative to ISTD R.T.
4.52 1.26 ug/L 900640 1,4-dichlorobenzene-d4 9.90
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 Butanoic acid, 2-methyl-, methyl... 116 C6H12O2 000868-57-5 25
2 Butanoic acid, 2-methyl-, methyl... 116 C6H12O2 000868-57-5/9
3 1-Propanol, 3-mercapto- 92 C3H80S 019721-22-3 9
4 Butane, 2-isothiocyanato- 115 C5H9NS 004426-79/3 9
Abundance Scan 245 (4.519 min): 12762.D (-243) (-) m/z 88.00 100.00%
41 88
57
5000 47
35 101
83
4.20 4.40 4.60 4.80
Ol ■ i . . . . i . JI1.1!1—- 4+—" ■ --------T4 i ■ ■ ‘ ■ r1 1 1 1 I ■ ■ ■ ■ i ‘ ■ m/z 41.10 89.50%
m/z-> 20 30 40। 50 60 70 80 90 100 110 120
Abundance
29
#17382: Butanoic acid, 2-methyl-, methyl ester
57 88 MWwaotto.
41
5000 ■ ■ ■ i ' ■ 1 1 i 1 ' ' 1 I 1 1 1 ' I ' 1 1 ' I
4.20 4.40 4.60 4.80
101 m/z 57.10 58.56%
69
niz->
Ot ‘ i ‘ ‘
20
IT' i IlH+4511
30 40। 50 60
+---4l
70 80 90
'i ■ ■ ■ ■ । 1 1 1 1 i 1 ■ ■ ■ ।
100 110 120
■
Abundance #112664: Butanoic acid, 2-methyl-, methyl ester
57
88
41 AMAA
■ ■■ f■■■■।' i‘ ■ ■ 1 1 1 ' 1 1 i
4.20 4.40 4.60 4.80
5000 m/z 86.00 53.20%
101
nfe->
Abundance
0- ..........
20 30
I40+1,1, ,51,
50 60
.97.,.
70 80 90
I 116
+1 »1 j ' ‘ ' 1 I 1 1 ' * 7 ’* 1 * 1 l 1 1
100 110 120
#1060:1-Propanol, 3-mercapto- • ■ • i ' ■ ■ ■ i ■ ■ ■ • i • • ■ ■ i • ■ ■ ■ i
31 41
"o
4.20 4.40 4.60 4.80
58
m/z 47.00 40.87%
92
5000 46 74
m/z->
0 1 I ■ ■
20
—
30
w 4 +533.1163.69,1479,
40 50 60 70 80
87
■ ‘ r1 —TTi i । । । । i i > । i ।
90 100 110 120
■ ‘ i ■ ■ • ■ I 1 ‘ 1 1 I 1 1 1 1 1 1 ' 1 1 I
4.20 4.40 4.60 4.80
12762.D 060302.M Mon Jun 10 10:26:40 2002 Page 11
NYC-WTC_000015454
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