NYC 9/11 Public Portal Document
Library Search Compound Report
Data File : C:\MSDCHEM\1\5973N\02FEB27\02453.D Vial: 4
Acq On : 27 Feb 2002 5:47 pm Operator:
Sample : 508 scan Inst : Instrumen
Mise : February 27, 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 5 1,3,5-Cycloheptatriene Concentration Rank 10
R.T. EstConc Area Relative to ISTD R.T.
4.37 0.03 ug/L 13322 1,4-Dichlorobenzene-d4 9.72
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 1,3,5-Cycloheptatriene 92 C7H8 000544-25-2 7
2 1,3,5-Cycloheptatriene $$ Cycloh... 92 C7H8 000544-25-2 7
3 1,6-Heptadien-3-yne 92 C7H8 005150-80-1 5
4 1,6-Heptadien-3-yne 92 C7H8 005150-80-1 5
Abundance Scan 88 (4.367 min): 02453. D (-) m/z 91.00 100.00%
91
5000
43 51
400 4.20 4.40 4.60 4.80
ol 1I1——un)BuI—UTT ‘I‘A‘‘I‘1+I1+4/‘I‘‘/1‘4*1I4I‘1111111 m/z 92.00 56.47%
m/z-> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100
Abundance #5571:1,3,5-Cycloheptatriene
91
-
5000
400 4.20 4.40 4.60 4.80
65 m/z 51.00 15.45%
27 38 51
Abundance
46
Ol > ■ 11 ■ ■ ■ । ■ I ■ . ।।।, I ], ।. TT
20 25 30 35 40 45
ill..........1 > I ■ 11 ■1 > 111 ■ ■ > I ’ I' 11
50 55 60 65 70 75 80 85 90
#5570:1,3,5-Cycloheptatriene $$ Cyclohepta-1,3,5-triene $...
91
■' i''1111
95 100 MMWWWo
4 00 4.20 4.40 4.60 4.80
5000 m/z 43.00 13.18%
65
27 38 46 51 61 ।
Ol TPTTTT TTTTT 111 ■ ■111 —I—PPT
mfe-> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100
Abundance #5557:1,6-Heptadien-3-yne
91
A,A/MA
400 4.20 4.40 4.60 4.80
m/z 49.00 3.14%
5000
65
w"yMAA
27
0 ..... 1..... %7 61' .111111, 1111' 11 " 11 111 " 86
' i1" 111''11I1'' ,।11'1111
,
11 " ' I 1' i1 ''' i'
m/z-> 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 4.00 4.20 4.40 4.60 4.80
32453.D HP022102 .M Thu Feb 28 08:47:22 2002 Page 7
NYC-WTC_000005076
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