Library Search Compound Report Data Path : W:\HPCHEM1\MSVOA_U\DATA\VU050718\ Data File : VU023715.D Acq On : 07 May 2018 15:02 Operator : MD/SY Sample : J2725-03 Misc : 5.0mL/MSVOA_U/WATER ALS Vial : 12 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 Thiophene, 3-methyl- Concentration Rank 36 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 7.94 6.15 ug/L 130119 Chlorobenzene-d5 9.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Thiophene, 3-methyl- 98 C5H6S 000616-44-4 95 2 Thiophene, 3-methyl- 98 C5H6S 000616-44-4 94 3 Thiophene, 2-methyl- 98 C5H6S 000554-14-3 94 4 Thiophene, 3-methyl- 98 C5H6S 000616-44-4 94 5 Thiophene, 2-methyl- 98 C5H6S 000554-14-3 91 ********************************************************************* Peak Number 2 Thiophene, tetrahydro- Concentration Rank 38 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 8.46 5.28 ug/L 111625 Chlorobenzene-d5 9.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Thiophene, tetrahydro- 88 C4H8S 000110-01-0 93 2 Thiophene, tetrahydro- 88 C4H8S 000110-01-0 87 3 Thietane, 2-methyl- 88 C4H8S 017837-41-1 64 4 Thiophene, tetrahydro- 88 C4H8S 000110-01-0 43 5 Ethylvinyl sulfide 88 C4H8S 000627-50-9 38 ********************************************************************* Peak Number 3 Benzene, propyl- Concentration Rank 47 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 10.59 2.54 ug/L 57815 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, propyl- 120 C9H12 000103-65-1 87 2 Benzene, propyl- 120 C9H12 000103-65-1 87 3 N-Benzyl-2-phenethylamine 211 C15H17N 003647-71-0 78 4 n-Butylbenzylamine 163 C11H17N 002403-22-7 72 5 1,2-Ethanediamine, N-(phenylmeth... 150 C9H14N2 004152-09-4 72 ********************************************************************* Peak Number 4 Benzene, 1-ethyl-3-methyl- Concentration Rank 20 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 10.69 19.49 ug/L 442979 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1-ethyl-3-methyl- 120 C9H12 000620-14-4 94 2 Benzene, 1-ethyl-3-methyl- 120 C9H12 000620-14-4 94 3 Benzene, 1-ethyl-2-methyl- 120 C9H12 000611-14-3 94 4 Benzene, 1-ethyl-2-methyl- 120 C9H12 000611-14-3 91 5 Benzene, 1-ethyl-4-methyl- 120 C9H12 000622-96-8 91 ********************************************************************* Peak Number 5 Mesitylene Concentration Rank 24 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 10.78 16.38 ug/L 372444 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Mesitylene 120 C9H12 000108-67-8 97 2 Benzene, 1,2,3-trimethyl- 120 C9H12 000526-73-8 97 3 Mesitylene 120 C9H12 000108-67-8 97 4 Benzene, 1,2,4-trimethyl- 120 C9H12 000095-63-6 95 5 Benzene, 1,2,4-trimethyl- 120 C9H12 000095-63-6 94 ********************************************************************* Peak Number 6 3-Hydroxyphenylacetylene Concentration Rank 8 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 11.40 309.52 ug/L 7036120 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 3-Hydroxyphenylacetylene 118 C8H6O 010401-11-3 91 2 Benzofuran 118 C8H6O 000271-89-6 90 3 Benzofuran 118 C8H6O 000271-89-6 90 4 Benzofuran 118 C8H6O 000271-89-6 87 5 2H-Cyclopenta[d]pyridazine 118 C7H6N2 000270-64-4 64 ********************************************************************* Peak Number 7 Benzene, 1,2,3-trimethyl- Concentration Rank 21 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 11.57 19.22 ug/L 436836 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1,2,3-trimethyl- 120 C9H12 000526-73-8 95 2 Mesitylene 120 C9H12 000108-67-8 95 3 Benzene, 1,2,4-trimethyl- 120 C9H12 000095-63-6 94 4 Benzene, 1,2,4-trimethyl- 120 C9H12 000095-63-6 94 5 Benzene, 1,2,4-trimethyl- 120 C9H12 000095-63-6 91 ********************************************************************* Peak Number 8 Benzene, 1-propenyl- Concentration Rank 43 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 11.63 3.39 ug/L 77049 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1-propenyl- 118 C9H10 000637-50-3 94 2 Benzene, cyclopropyl- 118 C9H10 000873-49-4 93 3 Benzene, 2-propenyl- 118 C9H10 000300-57-2 90 4 Benzene, 2-propenyl- 118 C9H10 000300-57-2 76 5 Benzene, cyclopropyl- 118 C9H10 000873-49-4 70 ********************************************************************* Peak Number 9 Indane Concentration Rank 5 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 11.77 518.80 ug/L 11793600 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Indane 118 C9H10 000496-11-7 93 2 Indane 118 C9H10 000496-11-7 91 3 Indane 118 C9H10 000496-11-7 87 4 Tetracyclo[3.3.1.0(2,8).0(4,6)]-... 118 C9H10 1000191-13-7 80 5 Deltacyclene 118 C9H10 007785-10-6 72 ********************************************************************* Peak Number 10 Indene Concentration Rank 3 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 11.99 1316.86 ug/L 29935500 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 Indene 116 C9H8 000095-13-6 95 4 Benzene, 1-propynyl- 116 C9H8 000673-32-5 91 5 3-Methylphenylacetylene 116 C9H8 000766-82-5 91 ********************************************************************* Peak Number 11 Benzene, 2-ethyl-1,4-dimethyl- Concentration Rank 45 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.26 3.06 ug/L 69560 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 2-ethyl-1,4-dimethyl- 134 C10H14 001758-88-9 96 2 Benzene, 4-ethyl-1,2-dimethyl- 134 C10H14 000934-80-5 95 3 Benzene, 1-methyl-3-(1-methyleth... 134 C10H14 000535-77-3 95 4 o-Cymene 134 C10H14 000527-84-4 95 5 p-Cymene 134 C10H14 000099-87-6 95 ********************************************************************* Peak Number 12 Benzene, 1-ethenyl-3-ethyl- Concentration Rank 22 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.36 17.43 ug/L 396161 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 90 2 1-Phenyl-1-butene 132 C10H12 000824-90-8 87 3 Indan, 1-methyl- 132 C10H12 000767-58-8 87 4 Benzene, 2-butenyl- 132 C10H12 001560-06-1 86 5 1H-Indene, 2,3-dihydro-2-methyl- 132 C10H12 000824-63-5 86 ********************************************************************* Peak Number 13 Benzaldehyde, 2-methyl- Concentration Rank 40 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.48 4.86 ug/L 110370 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzaldehyde, 2-methyl- 120 C8H8O 000529-20-4 50 2 Benzaldehyde, 2-methyl- 120 C8H8O 000529-20-4 50 3 Benzaldehyde, 3-methyl- 120 C8H8O 000620-23-5 45 4 Phthalan 120 C8H8O 000496-14-0 45 5 Benzaldehyde, 4-methyl- 120 C8H8O 000104-87-0 45 ********************************************************************* Peak Number 14 Benzonitrile, 4-methyl- Concentration Rank 10 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.57 112.25 ug/L 2551710 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzonitrile, 4-methyl- 117 C8H7N 000104-85-8 97 2 Benzonitrile, 3-methyl- 117 C8H7N 000620-22-4 97 3 Benzonitrile, 2-methyl- 117 C8H7N 000529-19-1 97 4 Benzonitrile, 3-methyl- 117 C8H7N 000620-22-4 97 5 Benzonitrile, 4-methyl- 117 C8H7N 000104-85-8 96 ********************************************************************* Peak Number 15 Benzofuran, 2-methyl- Concentration Rank 11 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.70 99.96 ug/L 2272330 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzofuran, 2-methyl- 132 C9H8O 004265-25-2 94 2 Benzofuran, 2-methyl- 132 C9H8O 004265-25-2 94 3 Benzofuran, 7-methyl- 132 C9H8O 017059-52-8 94 4 3-Phenyl-2-propyn-1-ol 132 C9H8O 001504-58-1 90 5 Benzofuran, 2-methyl- 132 C9H8O 004265-25-2 90 ********************************************************************* Peak Number 16 1H-Indene, 2,3-dihydro-4-me... Concentration Rank 23 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.97 16.56 ug/L 376355 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 1H-Indene, 2,3-dihydro-4-methyl- 132 C10H12 000824-22-6 94 2 1H-Indene, 2,3-dihydro-5-methyl- 132 C10H12 000874-35-1 90 3 Benzene, 1-ethenyl-3-ethyl- 132 C10H12 007525-62-4 87 4 3-Phenylbut-1-ene 132 C10H12 000934-10-1 87 5 Benzene, 1-ethenyl-4-ethyl- 132 C10H12 003454-07-7 81 ********************************************************************* Peak Number 17 Phenol, 2,6-dimethyl- Concentration Rank 16 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.09 27.22 ug/L 618713 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Phenol, 2,6-dimethyl- 122 C8H10O 000576-26-1 97 2 Phenol, 2,5-dimethyl- 122 C8H10O 000095-87-4 96 3 Phenol, 3,5-dimethyl- 122 C8H10O 000108-68-9 94 4 Phenol, 2,5-dimethyl- 122 C8H10O 000095-87-4 94 5 Phenol, 2,6-dimethyl- 122 C8H10O 000576-26-1 94 ********************************************************************* Peak Number 18 Benzene, (1-methyl-2-cyclop... Concentration Rank 19 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.19 22.92 ug/L 520947 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, (1-methyl-2-cyclopropen... 130 C10H10 065051-83-4 97 2 2-Methylindene 130 C10H10 002177-47-1 97 3 1H-Indene, 1-methyl- 130 C10H10 000767-59-9 95 4 Benzene, 1-butynyl- 130 C10H10 000622-76-4 94 5 Cycloprop[a]indene, 1,1a,6,6a-te... 130 C10H10 015677-15-3 93 ********************************************************************* Peak Number 19 Cycloprop[a]indene, 1,1a,6,... Concentration Rank 15 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.30 37.56 ug/L 853847 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Cycloprop[a]indene, 1,1a,6,6a-te... 130 C10H10 015677-15-3 97 2 1H-Indene, 1-methyl- 130 C10H10 000767-59-9 96 3 Benzene, (1-methyl-2-cyclopropen... 130 C10H10 065051-83-4 96 4 1H-Indene, 1-methyl- 130 C10H10 000767-59-9 96 5 2-Methylindene 130 C10H10 002177-47-1 95 ********************************************************************* Peak Number 20 o-Ethylbenzonitrile Concentration Rank 44 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.44 3.18 ug/L 72245 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 o-Ethylbenzonitrile 131 C9H9N 034136-59-9 94 2 o-Ethylbenzonitrile 131 C9H9N 034136-59-9 91 3 m-Ethylbenzonitrile 131 C9H9N 034136-57-7 90 4 p-Ethylbenzonitrile 131 C9H9N 025309-65-3 87 5 Benzeneacetonitrile, .alpha.-met... 131 C9H9N 001823-91-2 87 ********************************************************************* Peak Number 21 Phenol, 2,4-dimethyl- Concentration Rank 28 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.62 13.58 ug/L 308657 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Phenol, 2,4-dimethyl- 122 C8H10O 000105-67-9 97 2 Phenol, 2,3-dimethyl- 122 C8H10O 000526-75-0 97 3 Phenol, 2,4-dimethyl- 122 C8H10O 000105-67-9 96 4 Phenol, 2,5-dimethyl- 122 C8H10O 000095-87-4 96 5 Phenol, 2,5-dimethyl- 122 C8H10O 000095-87-4 96 ********************************************************************* Peak Number 22 Azulene Concentration Rank 1 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.78 6902.88 ug/L 156920000 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Azulene 128 C10H8 000275-51-4 93 2 Naphthalene 128 C10H8 000091-20-3 93 3 Azulene 128 C10H8 000275-51-4 92 4 4-Phenylbut-3-ene-1-yne 128 C10H8 1000222-12-0 86 5 Azulene 128 C10H8 000275-51-4 70 ********************************************************************* Peak Number 23 Benzo[c]thiophene Concentration Rank 7 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 13.87 318.04 ug/L 7229930 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzo[c]thiophene 134 C8H6S 000270-82-6 97 2 Benzo[b]thiophene 134 C8H6S 000095-15-8 95 3 Benzo[b]thiophene 134 C8H6S 000095-15-8 94 4 Cyclopenta[c]thiapyran 134 C8H6S 000270-63-3 94 5 Benzo[b]thiophene 134 C8H6S 000095-15-8 91 ********************************************************************* Peak Number 24 Phenol, 2,4,5-trimethyl- Concentration Rank 35 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.06 6.80 ug/L 154480 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Phenol, 2,4,5-trimethyl- 136 C9H12O 000496-78-6 93 2 Phenol, 2,4,6-trimethyl- 136 C9H12O 000527-60-6 91 3 Phenol, 2,3,6-trimethyl- 136 C9H12O 002416-94-6 87 4 Phenol, 2,3,6-trimethyl- 136 C9H12O 002416-94-6 87 5 Phenol, 2,4,5-trimethyl- 136 C9H12O 000496-78-6 87 ********************************************************************* Peak Number 25 Benzo[b]thiophene, 2,3-dihy... Concentration Rank 41 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.54 4.39 ug/L 99698 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzo[b]thiophene, 2,3-dihydro- 136 C8H8S 004565-32-6 93 2 Benzo[b]thiophene, 2,3-dihydro- 136 C8H8S 004565-32-6 76 3 Benzo[c]thiophene, 1,3-dihydro- 136 C8H8S 002471-92-3 70 4 Benzene, (ethenylthio)- 136 C8H8S 001822-73-7 62 5 4-Hydroxy-3-methylbenzaldehyde 136 C8H8O2 015174-69-3 58 ********************************************************************* Peak Number 26 Benzo[b]thiophene, 2-methyl- Concentration Rank 31 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.82 10.45 ug/L 237587 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzo[b]thiophene, 2-methyl- 148 C9H8S 001195-14-8 91 2 Benzo[b]thiophene, 2-methyl- 148 C9H8S 001195-14-8 91 3 Benzo[b]thiophene, 4-methyl- 148 C9H8S 014315-11-8 91 4 Benzo[b]thiophene, 5-methyl- 148 C9H8S 014315-14-1 91 5 3-Methylbenzothiophene 148 C9H8S 001455-18-1 91 ********************************************************************* Peak Number 27 Naphthalene, 1-methyl- Concentration Rank 4 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.88 552.69 ug/L 12564100 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Naphthalene, 2-methyl- 142 C11H10 000091-57-6 96 2 Naphthalene, 2-methyl- 142 C11H10 000091-57-6 96 3 Naphthalene, 1-methyl- 142 C11H10 000090-12-0 96 4 Naphthalene, 2-methyl- 142 C11H10 000091-57-6 94 5 Naphthalene, 1-methyl- 142 C11H10 000090-12-0 94 ********************************************************************* Peak Number 28 3-Methylbenzothiophene Concentration Rank 30 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 14.99 10.95 ug/L 248845 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 3-Methylbenzothiophene 148 C9H8S 001455-18-1 94 2 Benzo[b]thiophene, 6-methyl- 148 C9H8S 016587-47-6 94 3 Benzo[b]thiophene, 2-methyl- 148 C9H8S 001195-14-8 91 4 3-Methylbenzothiophene 148 C9H8S 001455-18-1 91 5 Benzo[b]thiophene, 2-methyl- 148 C9H8S 001195-14-8 91 ********************************************************************* Peak Number 29 unknown-01 Concentration Rank 42 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 15.56 3.64 ug/L 82729 1,4-Dichlorobenzene-d4 11.49 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 1H-Cyclopropa[a]naphthalene-1-ca... 200 C13H12O2 023398-50-7 47 2 2-Amino-6-methylpyrimidine-4-thiol 141 C5H7N3S 006307-44-4 43 3 Cyclohexanone, O-(1-naphthalenyl... 253 C17H19NO 055045-02-8 40 4 2-Chloromethyl-5-methylpyridine 141 C7H8ClN 1000241-93-8 38 5 Ethyleneglycol dipelargonate 342 C20H38O4 015805-87-5 38 ********************************************************************* Peak Number 30 Biphenyl Concentration Rank 14 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 15.61 38.96 ug/L 885715 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 95 3 Biphenyl 154 C12H10 000092-52-4 93 4 Naphthalene, 2-ethenyl- 154 C12H10 000827-54-3 87 5 Biphenyl 154 C12H10 000092-52-4 76