Library Search Compound Report Data Path : W:\HPCHEM1\MSVOA_X\DATA\VX050818\ Data File : VX001506.D Acq On : 08 May 2018 11:46 Operator : JC/MD Sample : J2695-08 Misc : 5.0mL/MSVOA_X/WATER ALS Vial : 4 Sample Multiplier: 1 Quant Method : W:\HPCHEM1\MSVOA_X\METHOD\82X050518W.M Quant Title : SW846 8260 TIC Library : C:\DATABASE\NIST11.L TIC Integration Parameters: LSCINT.P ********************************************************************* Peak Number 1 Ethanol Concentration Rank 9 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 2.11 21.38 ug/l 297536 Pentafluorobenzene 5.67 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Ethanol 46 C2H6O 000064-17-5 64 2 Dimethyl ether 46 C2H6O 000115-10-6 9 3 Methane, nitroso- 45 CH3NO 000865-40-7 4 4 Formic acid 46 CH2O2 000064-18-6 4 5 Oxalic acid 90 C2H2O4 000144-62-7 4 ********************************************************************* Peak Number 2 unknown13.13 Concentration Rank 7 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.13 26.00 ug/l 587194 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Oxirane, [[(2-ethylhexyl)oxy]met... 186 C11H22O2 002461-15-6 47 2 Propanoic acid, 2-methyl-, 2-met... 158 C9H18O2 002445-69-4 38 3 Heptane, 3-ethyl-5-methyl- 142 C10H22 052896-90-9 38 4 Butane, 2,2-dimethyl- 86 C6H14 000075-83-2 38 5 Cyclopentanol, 3-methyl- 100 C6H12O 018729-48-1 38 ********************************************************************* Peak Number 3 1-Octanol, 2-methyl- Concentration Rank 4 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.16 82.79 ug/l 1870080 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 1-Octanol, 2-methyl- 144 C9H20O 000818-81-5 86 2 1-Nonene 126 C9H18 000124-11-8 60 3 Cyclobutane, 1,2-diethyl-, cis- 112 C8H16 061141-50-2 49 4 Cyclopropane, 1-methyl-2-pentyl- 126 C9H18 041977-37-1 43 5 Sulfurous acid, pentadecyl 2-pro... 334 C18H38O3S 1000309-12-6 38 ********************************************************************* Peak Number 4 1-Nonanol Concentration Rank 1 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.49 256.93 ug/l 5803420 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 1-Nonanol 144 C9H20O 000143-08-8 91 2 Cyclopropane, 1-methyl-2-octyl- 168 C12H24 037617-26-8 86 3 Cycloheptane 98 C7H14 000291-64-5 74 4 Cyclopropane, 1-ethyl-2-heptyl- 168 C12H24 074663-86-8 72 5 Cyclopentane, 1,2-dimethyl-, trans- 98 C7H14 000822-50-4 62 ********************************************************************* Peak Number 5 (+)-2-Bornanone Concentration Rank 10 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.58 17.03 ug/l 384691 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 (+)-2-Bornanone 152 C10H16O 000464-49-3 95 2 Bicyclo[2.2.1]heptan-2-one, 1,7,... 152 C10H16O 000464-48-2 95 3 Camphor 152 C10H16O 000076-22-2 94 4 2-Butanone, 4-(5-methyl-2-furanyl)- 152 C9H12O2 013679-56-6 46 5 1-Adamantanol 152 C10H16O 000768-95-6 38 ********************************************************************* Peak Number 6 Levomenthol Concentration Rank 6 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.65 33.30 ug/l 752202 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Levomenthol 156 C10H20O 002216-51-5 91 2 Cyclohexane, 1-methyl-4-(1-methy... 138 C10H18 001879-07-8 86 3 Bicyclo[4.1.0]heptane, 3,7,7-tri... 138 C10H18 018968-23-5 86 4 Cyclohexanol, 5-methyl-2-(1-meth... 156 C10H20O 001490-04-6 74 5 Cyclohexanol, 5-methyl-2-(1-meth... 156 C10H20O 015356-70-4 74 ********************************************************************* Peak Number 7 Oxirane, 2-methyl-3-propyl-... Concentration Rank 5 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.86 35.86 ug/l 810044 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Oxirane, 2-methyl-3-propyl-, cis- 100 C6H12O 006124-90-9 64 2 Undecane, 3,4-dimethyl- 184 C13H28 017312-78-6 43 3 Nonane, 5-(1-methylpropyl)- 184 C13H28 062185-54-0 43 4 2,3-Dimethyldecane 170 C12H26 017312-44-6 38 5 1-Hexanol, 5-methyl-2-(1-methyle... 158 C10H22O 002051-33-4 38 ********************************************************************* Peak Number 8 Oxalic acid, allyl nonyl ester Concentration Rank 3 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 15.32 104.12 ug/l 2351700 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Oxalic acid, allyl nonyl ester 256 C14H24O4 1000309-23-7 50 2 10-Methylnonadecane 282 C20H42 056862-62-5 50 3 1-Undecene, 4-methyl- 168 C12H24 074630-39-0 46 4 Ether, hexyl pentyl 172 C11H24O 032357-83-8 38 5 Ethanol, 2-(hexyloxy)- 146 C8H18O2 000112-25-4 38