MassBank Record: MSBNK-BAFG-CSL2311107994
ACCESSION: MSBNK-BAFG-CSL2311107994
RECORD_TITLE: Triphenylphosphine sulfide; LC-ESI-QTOF; MS2; 100 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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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: splash10-114i-3900000000-994e49bbb913b3a0d095
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
51.0309 4.5 179
56.995 0.7 27
62.9503 25 999
62.9844 0.9 35
65.0442 0.5 19
76.0343 0.6 23
77.0405 3.6 143
79.9851 1.3 51
80.9916 1.9 75
89.0422 1.5 59
102.0478 1.2 47
107.0051 22.2 887
108.014 0.6 23
113.0407 0.7 27
115.0542 7 279
126.0463 2 79
131.0036 0.8 31
133.0189 1.4 55
138.9759 0.8 31
139.0544 5.1 203
150.0469 1.6 63
151.0535 6.3 251
152.0619 21.6 863
155.0114 0.4 15
156.0114 0.7 27
157.0209 9 359
170.028 0.7 27
180.011 1.1 43
181.0192 4.6 183
182.0289 0.8 31
183.0351 6.5 259
//