ACCESSION: MSBNK-BAFG-CSL2311096140
RECORD_TITLE: Triphenylphosphine oxide; LC-ESI-QTOF; MS2; 90 V
DATE: 2023.11.09
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$NAME: Triphenylphosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C18H15OP
CH$EXACT_MASS: 278.0861
CH$SMILES: O=[P](c1ccccc1)(c2ccccc2)c3ccccc3
CH$IUPAC: InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
CH$LINK: CAS 791-28-6
CH$LINK: INCHIKEY FIQMHBFVRAXMOP-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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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 10.458 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 279.0933
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: splash10-0fb9-9800000000-9d9c7eb48e9cf2fe3b90
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  51.0311 46.8 827
  65.0444 1.2 21
  67.985 1.7 30
  68.9929 11.5 203
  74.0181 1.2 21
  75.0269 0.7 12
  76.0326 0.8 14
  77.0417 56.5 999
  77.0717 0.7 12
  78.0483 1.4 24
  80.9912 0.8 14
  89.0396 1.5 26
  92.9886 0.6 10
  95.0058 6.6 116
  102.0476 3.6 63
  107.0049 8.6 152
  113.0376 0.8 14
  115.0541 8.5 150
  126.0463 3.6 63
  127.054 6.2 109
  128.0624 13 229
  133.0197 4.7 83
  139.0531 4.8 84
  141.0754 0.8 14
  144.0107 1.4 24
  145.0187 0.8 14
  150.0463 1.8 31
  151.0545 5.8 102
  152.0628 26.9 475
  153.0695 6.1 107
  155.0531 0.7 12
  157.0197 5.8 102
  168.0098 0.6 10
  169.0196 1.8 31
  170.0279 9.2 162
  171.0348 0.9 15
  181.0201 2.5 44
  183.0373 2.7 47
//
