ACCESSION: MSBNK-BAFG-CSL2311107993
RECORD_TITLE: Triphenylphosphine sulfide; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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$SPLASH: splash10-06sr-2900000000-c59f27946a498785f8fc
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  51.0295 1.7 32
  62.9499 31.5 599
  62.9778 1.4 26
  77.041 9.5 180
  77.0622 0.7 13
  95.0046 1.3 24
  107.0047 20.1 382
  108.0115 4.3 81
  115.0535 3.3 62
  133.02 1 19
  138.9764 40 761
  139.0539 2.6 49
  141.0693 1.3 24
  151.0551 0.5 9
  152.0616 15 285
  153.0679 0.6 11
  157.0194 6.6 125
  170.0269 1.4 26
  181.0207 1 19
  182.0257 0.6 11
  183.035 52.5 999
  184.0328 0.7 13
//