GCMS DFTPP calibration report, Feb 5 2002

NYC 9/11 Public Portal Document Library Search Compound Report Data File : C:\MSDCHEM\1\5973N\02FEB05\30648A.D Vial: 5 Acq On 5 Feb 2002 2:03 pm Operator: Sample : 508 scan; re-ext Inst : Instrumen Mise : February 5, 2002 Multiplr: 1.00 MS Integration Params: LSCINT.P Quant Method : C:\MSDCHEM\1...\HP020702.M (RTE Integrator) Title : 508 scan method Library : C:\DATABASE\WILEY7N.L ********************************************************************* Peak Number 10 4-HYDROXY-BICYCLO[2.2.2]OCT... Concentration Rank 12 R.T. EstConc Area Relative to ISTD R.T. 16.55 0.05 ug/L 54751 Acenaphthene-dl0 18.34 Hit# of 5 Tentative ID MW MolForm CAS# Qual

1 4-HYDROXY-BICYCLO[2.2.2]OCTANONE... 140 C8H12O2 066348-59-2 38 2 4-methoxymethyl -2-methylthiopyri... 170 C7H10N2OS 123061-70-1 37 3 4H-Pyran-4-one, 2-ethyl-3-hydroxy- 140 C7H803 004940-11-8 32 4 2,5-Thiophenedicarboxaldehyde 140 C6H4O2S 000932-95-6 12 Abundance Scan 1154 (16.549 min): 30648A.D (-) m/z 140.10 100.00% 140

5000 172 122 43 56 71 / 89 1 ■ i ■ ■ ■ 1 i ' ' ' ■ । ■ 82 I 16.20 16.40 16.60 16.80

n/z-> 0- ....40lirpill...... 50 60 I. "'ll'"1!"... 'I... TT Menspi 70 80 90 100 110 120 130 140 150 160 170 m/z 172.20 34.71%

Abundance #35653:4-HYDROXY-BICYCLO[2.2.2]OCTANONE $$ Bicyclo[2.2.2]„. 83 110 55 70 97 112 5000 16.20 16.40 16.60 16.80 m/z 122.10 28.70% 125 0- ' ' I ' ’ ' ' 1 1 1 ....... I • ■ i • ■ 111 ' 1 I ■ ■ । ■ ■ > ■ । ■ ■ ■ ■ ■ i ■ ■ ■ ■ i' ■ ■ ■ । ■ ■ ■ ■ ।r miz-> 40 50 60 70 80 90 100 110 120 130 140 150 160 170 Abundance #72568:4-methoxymethyl-2-methylthiopyrimidine $$ Pyrimidi... 140 16,20 16.40 16.60 16.80 5000 rn/z 138.20 22.19% 45

125 miz-> 0- '11'' ' ■ i ■' '11 '' 1' i ■' ■ ■ i ‘' 11 111 11 I ■ ■ ■' i ■ ■ ■ ■ i'' '1 i'' 40 50 60 70 80 90 100 110 120 130 140 150 160 170 4155 7 Abundance #35344: 4H-Pyran-4-one, 2-ethyl-3-hydroxy- 140 16,20 16,40 16.60 16.80 m/z 136.10 22.12%

5000 71 125 97

m/z-> 0 55 84 | 111 mp 'i1 ■ ■ -....... ................ .............. 1■' L ■' i1 ■ ■' । ■ ■'' । ■ ■ ■ ■ ।1

40 50 60 70 80 90 100 110 120 130 140 150 160 170 M..... . 16,20 16,40 16.60 16.80

30648A.D SCAN508.M Thu Feb 21 10:19:05 2002 Page 12

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