Library Search Compound Report Data Path : W:\HPCHEM1\MSVOA_X\DATA\VX051518\ Data File : VX001726.D Acq On : 14 May 2018 23:10 Operator : JC/MD Sample : J2833-03 Misc : 5.0mL/MSVOA_X/WATER ALS Vial : 23 Sample Multiplier: 1 Quant Method : W:\HPCHEM1\MSVOA_X\METHOD\82X051518W.M Quant Title : SW846 8260 TIC Library : C:\DATABASE\NIST11.L TIC Integration Parameters: LSCINT.P ********************************************************************* Peak Number 1 Butane Concentration Rank 8 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 1.40 12.13 ug/l 175555 Pentafluorobenzene 5.67 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Butane 58 C4H10 000106-97-8 72 2 Isopropylsulfonyl chloride 142 C3H7ClO2S 010147-37-2 9 3 Isobutane 58 C4H10 000075-28-5 9 4 Propane, 1-nitro- 89 C3H7NO2 000108-03-2 9 5 Allyl acetate 100 C5H8O2 000591-87-7 4 ********************************************************************* Peak Number 2 Butane, 2-methyl- Concentration Rank 2 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 1.79 53.27 ug/l 771055 Pentafluorobenzene 5.67 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Butane, 2-methyl- 72 C5H12 000078-78-4 94 2 3-Buten-1-ol 72 C4H8O 000627-27-0 47 3 Pentane 72 C5H12 000109-66-0 36 4 1-Butanesulfonyl chloride 156 C4H9ClO2S 002386-60-9 10 5 Tetrahydrofuran 72 C4H8O 000109-99-9 9 ********************************************************************* Peak Number 3 Pentane Concentration Rank 9 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 2.00 11.57 ug/l 167454 Pentafluorobenzene 5.67 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Pentane 72 C5H12 000109-66-0 91 2 Butane, 2-methyl- 72 C5H12 000078-78-4 28 3 Diaziridine,3,3-dimethyl- 72 C3H8N2 004901-76-2 23 4 Propanal, 2-methyl- 72 C4H8O 000078-84-2 12 5 Tetrahydrofuran 72 C4H8O 000109-99-9 9 ********************************************************************* Peak Number 4 Cyclobutane, methyl- Concentration Rank 4 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 2.93 18.52 ug/l 268028 Pentafluorobenzene 5.67 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Cyclobutane, methyl- 70 C5H10 000598-61-8 80 2 Cyclopentane 70 C5H10 000287-92-3 72 3 1-Pentene 70 C5H10 000109-67-1 50 4 Cyclopropane, ethyl- 70 C5H10 001191-96-4 45 5 2H-Tetrazole, 2,5-dimethyl- 98 C3H6N4 004135-93-7 39 ********************************************************************* Peak Number 5 Cyclopentane, methyl- Concentration Rank 6 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 4.40 16.53 ug/l 239294 Pentafluorobenzene 5.67 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Cyclopentane, methyl- 84 C6H12 000096-37-7 90 2 1H-Tetrazole, 5-methyl- 84 C2H4N4 004076-36-2 64 3 Cyclobutane, ethyl- 84 C6H12 004806-61-5 59 4 Cyclohexane 84 C6H12 000110-82-7 47 5 Cyclobutane 56 C4H8 000287-23-0 47 ********************************************************************* Peak Number 6 Benzene, 1-ethyl-3-methyl- Concentration Rank 7 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 11.44 13.17 ug/l 315169 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1-ethyl-3-methyl- 120 C9H12 000620-14-4 97 2 Benzene, 1-ethyl-2-methyl- 120 C9H12 000611-14-3 95 3 Benzene, 1-ethyl-4-methyl- 120 C9H12 000622-96-8 91 4 Benzene, 1,2,4-trimethyl- 120 C9H12 000095-63-6 91 5 Mesitylene 120 C9H12 000108-67-8 91 ********************************************************************* Peak Number 7 Benzene, 1,2,3-trimethyl- Concentration Rank 10 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.15 10.44 ug/l 249830 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Benzene, 1,2,3-trimethyl- 120 C9H12 000526-73-8 95 2 Benzene, 1,2,4-trimethyl- 120 C9H12 000095-63-6 94 3 Mesitylene 120 C9H12 000108-67-8 93 4 Benzene, 1-ethyl-3-methyl- 120 C9H12 000620-14-4 91 5 Benzene, 1-ethyl-2-methyl- 120 C9H12 000611-14-3 90 ********************************************************************* Peak Number 8 Indane Concentration Rank 5 R.T. EstConc Area Relative to ISTD R.T. --------------------------------------------------------------------- 12.30 18.12 ug/l 433728 1,4-Dichlorobenzene-d4 12.09 Hit# of 5 Tentative ID MW MolForm CAS# Qual --------------------------------------------------------------------- 1 Indane 118 C9H10 000496-11-7 95 2 Benzene, 2-propenyl- 118 C9H10 000300-57-2 87 3 Benzene, cyclopropyl- 118 C9H10 000873-49-4 83 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