ACCESSION: MSBNK-BAFG-CSL2311107990
RECORD_TITLE: Triphenylphosphine sulfide; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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: splash10-0lzi-3900000000-1e6b07b9680a35c59701
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  51.0296 2.6 74
  62.9499 32.4 930
  63.0019 0.5 14
  77.0416 7.4 212
  79.9828 0.5 14
  80.9926 1.1 31
  89.0401 0.6 17
  95.0069 0.5 14
  107.005 23.4 671
  108.0122 2.5 71
  115.0542 6.2 177
  126.045 0.8 22
  133.0206 1.5 43
  138.047 0.4 11
  138.9767 14.3 410
  139.0554 4.3 123
  141.0691 0.7 20
  151.0557 1.3 37
  152.062 22.6 648
  153.0733 0.5 14
  157.0206 10.1 289
  170.028 1 28
  181.0193 2.5 71
  182.029 0.7 20
  183.0364 34.8 999
  184.035 0.7 20
//
