MassBank Record: MSBNK-BAFG-CSL2311107997
ACCESSION: MSBNK-BAFG-CSL2311107997
RECORD_TITLE: Triphenylphosphine sulfide; LC-ESI-QTOF; MS2; 140 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541
CH$NAME: Triphenylphosphine sulfide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C18H15PS
CH$EXACT_MASS: 294.0632
CH$SMILES: S=[P](c1ccccc1)(c2ccccc2)c3ccccc3
CH$IUPAC: InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
CH$LINK: CAS
3878-45-3
CH$LINK: INCHIKEY
VYNGFCUGSYEOOZ-UHFFFAOYSA-N
AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 14.508 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 295.0705
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-0nmi-9700000000-bac65317319225e5de1d
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
51.029 3.3 225
51.0403 1.2 82
55.9874 0.7 47
56.9934 1.7 116
62.9498 14.6 999
62.9851 0.5 34
65.0443 0.8 54
67.9835 0.6 41
74.0174 0.9 61
76.0337 1.2 82
77.04 0.9 61
78.9741 1 68
79.9838 2.6 177
80.9902 4.5 307
86.0164 0.6 41
87.024 1.2 82
89.039 2.4 164
91.9827 0.7 47
98.0157 0.4 27
102.0462 1 68
103.9821 0.7 47
107.0043 7.6 520
113.0403 0.9 61
115.0528 1.5 102
126.0463 2.3 157
131.0016 0.7 47
138.0423 0.5 34
139.0539 0.7 47
150.0461 3.1 212
151.0528 3 205
152.0601 1.8 123
155.0025 0.9 61
156.0116 1.1 75
157.0193 1.2 82
179.0021 0.8 54
180.0108 1.3 88
181.0198 2 136
//