GCMS analysis report sample AE09677, May 23, 2002

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Library Search Compound Report

Data File : C:\MSDCHEM\1\DATA\052102\9677.D Vial: 15 Acq On : 22 May 2002 12:44 am Operator: Mclean Sample : re-extract Inst : Instrumen Mise Multiplr: 1.00 MS Integration Params: LSCINT.e Quant Method : C:\MSDCHEM\1\METHODS\052202.M (Chemstation Integrator) Title : 508 Modified GC/MS scan Library : C:\DATABASE\NIST98.L ********************************************************************* . Peak Number 8 1,3,5-Cycloheptatriene Concentration Rank 8

R.T. EstConc Area Relative to ISTD R.T.

4.27 1.52 ug/L 1062870 1,4-Dichlorobenzene-d4 9.90

Hit# of 5 Tentative ID MW MolForm CAS# Qual 1 1,3,5-Cycloheptatriene 92 C7H8 000544-25-2 1/ 2 1,3,5-Cycloheptatriene 92 C7H8 000544-25-2 4 3 Spiro(2.4]hepta-4,6-diene 92 C7H8 000765-46-8 3 4 Cyclobutene, 2-propenylidene- 92 C7H8 052097-85/5 3 Abundance Scan 203 (4.272 min): 9677.D (-194) (-) m/ z 91.10 100.00% 91 .........................................

5000 35 43 —

niz-> 0- —2 0 10 20 30 40 50 60 70 83 - 80 90 100 110 m/z 4.00 4.20 92.10 4.40 4.60 60.78% Abundance #117298:1,3,5-Cycloheptatriene 91

5000- ■ ‘ i ■ ■ ■11 • • ■ ■ । • • • • । • 4.00 4.20 4.40 4.60

niz-> Abundance 01 . ■ ■। > • •. ।. 0 . H l 28 r1p ■ ■ r'1'1' ■ 39 51 77 85 , — 10 20 30 40 50 60 70 80 90 100 110 65

#37276:1,3,5-Cycloheptatriene TTUTIr

91 "MMhMaaaawy Mw m/z 35.10 34.. 14%

4.00 4.20 4.40 4.60 5000 m/z 43.10 16.97% 39 65 MWh-hiryvpulpAuay 0- 215 7 +45 11,57 ■ ■ i ■ ■ ■ ■ i 1 1 ■ ■ i ■ ■ 1 ■ i ■ 171,7748544 106 niz-> 0 10 20 30 40 50 60 70 80 90 100 110 Abundance #37322: Spiro[2.4]hepta-4,6-diene 91 4.00 4.20 4.40 4.60 m/z 65.10 12.35% 5000

65 0 27 39 45 51 59,1, 1**/** • i I * ' * ■ I f. . . fl i I . । . i 77 । 85, . i 11 ■ ■ i 1 ■ ■ 1 i ‘ 1 ' ’ i ■ ■ ■ ■ i ' ' miz-> 0 10 20 30 40 50 60 70 80 90 100 110 4.00 4.20 4.40 4.60

9677.D 052202.M Wed May 22 11:34:18 2002 Page 11

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