ACCESSION: MSBNK-BAFG-CSL2311107995
RECORD_TITLE: Triphenylphosphine sulfide; LC-ESI-QTOF; MS2; 150 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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$SPLASH: splash10-0imi-9500000000-946f09d2801a9c589b0c
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  51.0282 3.5 266
  55.9867 0.6 45
  56.9943 1.3 99
  62.0294 0.4 30
  62.9499 13.1 999
  65.0445 0.5 38
  67.9839 0.7 53
  74.0185 1.7 129
  75.0245 0.9 68
  76.0337 0.9 68
  77.0435 0.9 68
  78.9752 0.8 61
  79.9839 3.4 259
  80.9911 4.4 335
  86.0161 1 76
  87.0242 1 76
  89.0416 1.3 99
  91.9836 0.6 45
  98.0154 0.8 61
  99.0236 0.4 30
  102.0481 0.7 53
  103.9832 0.6 45
  104.9929 0.7 53
  107.0056 5.7 434
  113.0388 0.4 30
  115.0557 0.7 53
  126.0467 2.4 183
  131.0027 0.7 53
  150.0464 2.9 221
  151.0543 1.6 122
  152.0619 1 76
  155.0019 0.5 38
  156.0125 0.7 53
  157.0207 0.5 38
  179.0041 1.4 106
  180.0138 0.7 53
  181.0211 1.2 91
//