ACCESSION: MSBNK-BAFG-CSL2311107996
RECORD_TITLE: Triphenylphosphine sulfide; LC-ESI-QTOF; MS2; 110 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$MASS_SPECTROMETRY: COLLISION_ENERGY 110
AC$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-4900000000-71ea9dd7b0037792667e
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  51.0282 4.3 219
  56.9943 1.2 61
  62.9495 19.6 999
  62.977 1.8 91
  65.0454 1.2 61
  67.9857 0.5 25
  68.9927 0.5 25
  75.0248 0.4 20
  77.0413 1.8 91
  79.983 1.7 86
  80.9908 4 203
  87.023 0.5 25
  89.0402 2.3 117
  100.0379 0.4 20
  102.0466 1.3 66
  107.0045 17.9 912
  107.0456 0.4 20
  113.0404 1.1 56
  115.0537 5.2 265
  126.0463 2.2 112
  131.0033 1 50
  133.0201 1.4 71
  138.0488 0.5 25
  138.9747 0.5 25
  139.0538 4.9 249
  150.0461 1.8 91
  151.0542 7.3 372
  152.0619 14.1 718
  156.0114 1 50
  157.0188 7 356
  180.0126 0.8 40
  181.019 5.5 280
  183.0372 2.7 137
//
