ACCESSION: MSBNK-BAFG-CSL2311108000
RECORD_TITLE: Triphenylphosphine sulfide; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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-7900000000-75f2312f35fc071d05dd
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  51.0285 3.5 230
  55.9861 0.7 46
  56.9937 1.3 85
  62.9497 15.2 999
  65.0413 0.9 59
  74.0174 1 65
  75.0258 0.7 46
  76.0341 0.9 59
  77.0419 1.3 85
  78.9754 0.7 46
  79.9834 3 197
  80.9907 5.1 335
  87.025 0.9 59
  89.0403 3.4 223
  91.9833 0.7 46
  99.0279 0.4 26
  100.0309 0.4 26
  102.0476 1.2 78
  102.0611 0.4 26
  103.9818 0.6 39
  104.9914 0.5 32
  107.0051 10.8 709
  113.0396 0.9 59
  115.0547 2.6 170
  126.0469 3.1 203
  131.0063 1.4 92
  138.0473 0.7 46
  139.056 2.1 138
  150.0467 3 197
  151.0542 3.5 230
  152.0638 4.4 289
  155.0039 0.9 59
  156.0136 1 65
  157.021 2.4 157
  179.0057 0.8 52
  180.0146 1.3 85
  181.0205 2.7 177
  183.0357 0.4 26
//
