ACCESSION: MSBNK-BAFG-CSL2311108004
RECORD_TITLE: Triphenylphosphine sulfide; LC-ESI-QTOF; MS2; 120 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$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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$SPLASH: splash10-0r00-6900000000-e12fcf651365d63532ed
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  51.0293 4.3 270
  55.9864 0.5 31
  56.9949 1 62
  62.9499 15.9 999
  62.9756 0.8 50
  63.0012 0.4 25
  65.0424 1.1 69
  67.9853 0.4 25
  68.9912 0.5 31
  74.0163 0.6 37
  77.0414 1.3 81
  78.9745 0.5 31
  79.9838 1.7 106
  80.9909 4.3 270
  87.0277 0.5 31
  89.0403 2.4 150
  91.9806 0.5 31
  102.0464 1.3 81
  103.9818 0.4 25
  107.0046 14 879
  107.0463 0.4 25
  113.0399 0.8 50
  115.0544 2.8 175
  126.047 2.8 175
  131.0023 0.9 56
  133.0192 0.8 50
  139.0533 2.7 169
  139.0761 0.4 25
  150.0462 2.1 131
  151.0549 5 314
  152.0615 7.2 452
  155.0065 0.6 37
  156.0141 0.9 56
  157.0206 3.8 238
  180.0131 1.2 75
  181.0193 3.9 245
  183.0327 0.6 37
//