Library Search Compound Report Data Path : W:\HPCHEM1\MSVOA_U\DATA\VU050718\ Data File : VU023718.D Acq On : 07 May 2018 16:21 Operator : MD/SY Sample : J2725-06 Misc : 5.0mL/MSVOA_U/WATER ALS Vial : 15 Sample Multiplier: 1 Quant Method : W:\HPCHEM1\MSVOA_U\METHOD\SOMULM050118WMA.M Quant Title : VOC Analysis TIC Library : C:\DATABASE\NIST11.L TIC Integration Parameters: LSCINT.P ********************************************************************* Peak Number 1 Sulfur dioxide Concentration Rank 12 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 1.28 13.34 ug/L 201548 1,4-Difluorobenzene 5.89 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Sulfur dioxide 64 O2S 007446-09-5 83 2 Aminomethanesulfonic acid 111 CH5NO3S 013881-91-9 74 3 L-Alanine, 3-sulfo- 169 C3H7NO5S 000498-40-8 9 4 Sulfur dioxide 64 O2S 007446-09-5 5 5 Ethene, 1,1-difluoro- 64 C2H2F2 000075-38-7 4 ********************************************************************* Peak Number 2 Indane Concentration Rank 13 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 11.77 9.83 ug/L 191255 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Indane 118 C9H10 000496-11-7 92 2 Indane 118 C9H10 000496-11-7 70 3 Benzene, 2-propenyl- 118 C9H10 000300-57-2 70 4 Indane 118 C9H10 000496-11-7 70 5 Benzene, cyclopropyl- 118 C9H10 000873-49-4 62 ********************************************************************* Peak Number 3 Indene Concentration Rank 23 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 11.99 5.27 ug/L 102604 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Indene 116 C9H8 000095-13-6 97 2 Indene 116 C9H8 000095-13-6 96 3 Benzene, 1-propynyl- 116 C9H8 000673-32-5 95 4 Indene 116 C9H8 000095-13-6 95 5 3-Methylphenylacetylene 116 C9H8 000766-82-5 91 ********************************************************************* Peak Number 4 Benzene, 4-ethyl-1,2-dimethyl- Concentration Rank 32 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.26 2.52 ug/L 49063 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 4-ethyl-1,2-dimethyl- 134 C10H14 000934-80-5 96 2 Benzene, 1-ethyl-2,3-dimethyl- 134 C10H14 000933-98-2 96 3 Benzene, 1-ethyl-2,4-dimethyl- 134 C10H14 000874-41-9 95 4 o-Cymene 134 C10H14 000527-84-4 94 5 p-Cymene 134 C10H14 000099-87-6 94 ********************************************************************* Peak Number 5 Benzene, 1-ethenyl-3-ethyl- Concentration Rank 4 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.36 38.09 ug/L 741416 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1-ethenyl-3-ethyl- 132 C10H12 007525-62-4 91 2 Indan, 1-methyl- 132 C10H12 000767-58-8 90 3 1-Phenyl-1-butene 132 C10H12 000824-90-8 87 4 Benzene, 1-ethenyl-4-ethyl- 132 C10H12 003454-07-7 87 5 Benzene, 1-ethenyl-4-ethyl- 132 C10H12 003454-07-7 86 ********************************************************************* Peak Number 6 Cinnamaldehyde, (E)- Concentration Rank 21 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.60 6.44 ug/L 125270 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Cinnamaldehyde, (E)- 132 C9H8O 014371-10-9 91 2 Benzofuran, 2-methyl- 132 C9H8O 004265-25-2 91 3 Benzofuran, 2-methyl- 132 C9H8O 004265-25-2 91 4 Benzofuran, 2-methyl- 132 C9H8O 004265-25-2 91 5 3-Phenyl-2-propyn-1-ol 132 C9H8O 001504-58-1 87 ********************************************************************* Peak Number 7 Benzofuran, 7-methyl- Concentration Rank 24 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.71 4.84 ug/L 94281 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzofuran, 7-methyl- 132 C9H8O 017059-52-8 83 2 Benzofuran, 2-methyl- 132 C9H8O 004265-25-2 60 3 3-Phenyl-2-propyn-1-ol 132 C9H8O 001504-58-1 60 4 Benzofuran, 2-methyl- 132 C9H8O 004265-25-2 60 5 2-Propenal, 3-phenyl- 132 C9H8O 000104-55-2 53 ********************************************************************* Peak Number 8 Benzene, 1-ethenyl-4-ethyl- Concentration Rank 25 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.97 4.71 ug/L 91741 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1-ethenyl-4-ethyl- 132 C10H12 003454-07-7 94 2 Benzene, 2-ethenyl-1,4-dimethyl- 132 C10H12 002039-89-6 92 3 1H-Indene, 2,3-dihydro-5-methyl- 132 C10H12 000874-35-1 90 4 Benzene, 1-ethenyl-4-ethyl- 132 C10H12 003454-07-7 90 5 1H-Indene, 2,3-dihydro-4-methyl- 132 C10H12 000824-22-6 90 ********************************************************************* Peak Number 9 Benzene, 1-methyl-2-(2-prop... Concentration Rank 28 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.12 3.88 ug/L 75433 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1-methyl-2-(2-propenyl)- 132 C10H12 001587-04-8 87 2 p-Cymene 134 C10H14 000099-87-6 50 3 o-Cymene 134 C10H14 000527-84-4 50 4 Benzene, 1-ethyl-2,4-dimethyl- 134 C10H14 000874-41-9 50 5 Benzene, 1-methyl-3-(1-methyleth... 134 C10H14 000535-77-3 50 ********************************************************************* Peak Number 10 Benzene, (3-methyl-2-butenyl)- Concentration Rank 30 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.46 2.76 ug/L 53802 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, (3-methyl-2-butenyl)- 146 C11H14 004489-84-3 94 2 1H-Indene, 2,3-dihydro-1,6-dimet... 146 C11H14 017059-48-2 93 3 Naphthalene, 1,2,3,4-tetrahydro-... 146 C11H14 001559-81-5 90 4 1H-Indene, 2,3-dihydro-4,7-dimet... 146 C11H14 006682-71-9 90 5 2,2-Dimethylindene, 2,3-dihydro- 146 C11H14 020836-11-7 90 ********************************************************************* Peak Number 11 Benzene, 1-pentenyl- Concentration Rank 15 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.56 8.79 ug/L 171048 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1-pentenyl- 146 C11H14 000826-18-6 86 2 1H-Indene, 1-ethyl-2,3-dihydro- 146 C11H14 004830-99-3 72 3 Benzene, (1-ethyl-2-propenyl)- 146 C11H14 019947-22-9 72 4 Benzene, (3-chloro-1-propenyl)- 152 C9H9Cl 002687-12-9 64 5 Benzene, 1,1'-(1,5-hexadiene-1,6... 234 C18H18 004439-45-6 64 ********************************************************************* Peak Number 12 Pyrazolo[1,5-a]pyridine, 2,... Concentration Rank 20 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.92 6.97 ug/L 135681 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Pyrazolo[1,5-a]pyridine, 2,3-dim... 146 C9H10N2 028537-56-6 70 2 Cinnamaldehyde, .beta.-methyl- 146 C10H10O 001196-67-4 64 3 Benzene, cyclopentyl- 146 C11H14 000700-88-9 64 4 Benzene, (1-ethyl-1-propenyl)- 146 C11H14 004701-36-4 46 5 Benzene, (1-ethyl-1-propenyl)- 146 C11H14 004701-36-4 46 ********************************************************************* Peak Number 13 1H-Indene, 2,3-dihydro-4,7-... Concentration Rank 31 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.16 2.57 ug/L 50059 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 1H-Indene, 2,3-dihydro-4,7-dimet... 146 C11H14 006682-71-9 97 2 1H-Indene, 2,3-dihydro-4,7-dimet... 146 C11H14 006682-71-9 95 3 1H-Indene, 2,3-dihydro-4,7-dimet... 146 C11H14 006682-71-9 95 4 1H-Indene, 2,3-dihydro-5,6-dimet... 146 C11H14 001075-22-5 94 5 1H-Indene, 2,3-dihydro-4,6-dimet... 146 C11H14 001685-82-1 94 ********************************************************************* Peak Number 14 1H-Indene, 2,3-dihydro-5,6-... Concentration Rank 26 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.34 4.56 ug/L 88822 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 1H-Indene, 2,3-dihydro-5,6-dimet... 146 C11H14 001075-22-5 93 2 1H-Indene, 2,3-dihydro-4,7-dimet... 146 C11H14 006682-71-9 93 3 Benzene, (3-methyl-2-butenyl)- 146 C11H14 004489-84-3 93 4 Benzene, (1-methyl-1-butenyl)- 146 C11H14 053172-84-2 91 5 1H-Indene, 2,3-dihydro-1,6-dimet... 146 C11H14 017059-48-2 90 ********************************************************************* Peak Number 15 Benzo[b]thiophene, 6-methyl- Concentration Rank 18 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.82 7.14 ug/L 138985 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzo[b]thiophene, 6-methyl- 148 C9H8S 016587-47-6 93 2 3-Methylbenzothiophene 148 C9H8S 001455-18-1 87 3 Benzo[b]thiophene, 2-methyl- 148 C9H8S 001195-14-8 87 4 Benzo[b]thiophene, 2-methyl- 148 C9H8S 001195-14-8 87 5 Benzo[b]thiophene, 4-methyl- 148 C9H8S 014315-11-8 83 ********************************************************************* Peak Number 16 Naphthalene, 1-methyl- Concentration Rank 11 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.88 13.35 ug/L 259766 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Naphthalene, 1-methyl- 142 C11H10 000090-12-0 96 2 Naphthalene, 2-methyl- 142 C11H10 000091-57-6 96 3 Naphthalene, 2-methyl- 142 C11H10 000091-57-6 96 4 Naphthalene, 2-methyl- 142 C11H10 000091-57-6 94 5 Naphthalene, 1-methyl- 142 C11H10 000090-12-0 94 ********************************************************************* Peak Number 17 Acenaphthylene, 1,2,2a,3,4,... Concentration Rank 29 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 15.57 2.86 ug/L 55659 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Acenaphthylene, 1,2,2a,3,4,5-hex... 158 C12H14 000480-72-8 93 2 Acenaphthylene, 1,2,2a,3,4,5-hex... 158 C12H14 000480-72-8 93 3 Acenaphthylene, 1,2,2a,3,4,5-hex... 158 C12H14 000480-72-8 74 4 1,4-Ethanonaphthalen-2-ol, 1,2,3... 174 C12H14O 013153-77-0 64 5 9-Methylbenzonorbornen-2-one 172 C12H12O 1000110-51-6 59 ********************************************************************* Peak Number 18 Biphenyl Concentration Rank 7 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 15.61 18.12 ug/L 352692 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Biphenyl 154 C12H10 000092-52-4 95 2 Biphenyl 154 C12H10 000092-52-4 87 3 Biphenyl 154 C12H10 000092-52-4 83 4 Naphthalene, 2-ethenyl- 154 C12H10 000827-54-3 81 5 Biphenyl 154 C12H10 000092-52-4 58 ********************************************************************* Peak Number 19 Naphthalene, 2,3-dimethyl- Concentration Rank 27 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 15.92 4.40 ug/L 85685 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Naphthalene, 2,3-dimethyl- 156 C12H12 000581-40-8 93 2 Naphthalene, 1,3-dimethyl- 156 C12H12 000575-41-7 93 3 Naphthalene, 1,3-dimethyl- 156 C12H12 000575-41-7 93 4 Naphthalene, 2,7-dimethyl- 156 C12H12 000582-16-1 93 5 Naphthalene, 2,6-dimethyl- 156 C12H12 000581-42-0 93 ********************************************************************* Peak Number 20 Naphthalene, 1,2-dimethyl- Concentration Rank 22 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 16.27 5.70 ug/L 111005 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Naphthalene, 1,2-dimethyl- 156 C12H12 000573-98-8 98 2 Naphthalene, 1,4-dimethyl- 156 C12H12 000571-58-4 97 3 Naphthalene, 1,3-dimethyl- 156 C12H12 000575-41-7 97 4 Naphthalene, 1,8-dimethyl- 156 C12H12 000569-41-5 97 5 Naphthalene, 1,4-dimethyl- 156 C12H12 000571-58-4 96 ********************************************************************* Peak Number 21 Naphthalene, 1,3-dimethyl- Concentration Rank 10 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 16.44 14.63 ug/L 284805 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Naphthalene, 1,3-dimethyl- 156 C12H12 000575-41-7 97 2 Naphthalene, 2,3-dimethyl- 156 C12H12 000581-40-8 96 3 Naphthalene, 2,3-dimethyl- 156 C12H12 000581-40-8 96 4 Naphthalene, 1,4-dimethyl- 156 C12H12 000571-58-4 96 5 Naphthalene, 1,2-dimethyl- 156 C12H12 000573-98-8 96 ********************************************************************* Peak Number 22 Benzene, [1-(2,4-cyclopenta... Concentration Rank 9 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 16.92 15.73 ug/L 306236 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, [1-(2,4-cyclopentadien-... 168 C13H12 002320-32-3 56 2 Ethanone, 1-(2,4,6-trihydroxyphe... 168 C8H8O4 000480-66-0 52 3 Acetophenone, 3'-fluoro-4'-methoxy- 168 C9H9FO2 000455-91-4 50 4 Ethanone, 1-(2,4,6-trihydroxyphe... 168 C8H8O4 000480-66-0 50 5 2,4(1H,3H)-Pyrimidinedione, 5-(1... 168 C8H12N2O2 017432-97-2 50 ********************************************************************* Peak Number 23 Dibenzofuran Concentration Rank 5 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 17.04 32.21 ug/L 626984 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Dibenzofuran 168 C12H8O 000132-64-9 91 2 Dibenzofuran 168 C12H8O 000132-64-9 87 3 3,5-Dimethoxybenzyl alcohol 168 C9H12O3 000705-76-0 56 4 3,6-Diazahomoadamantan-9-ol 168 C9H16N2O 138023-21-9 50 5 1-Naphthalenecarbonitrile, 8-amino- 168 C11H8N2 038515-13-8 45