ACCESSION: MSBNK-BAFG-CSL2311096143
RECORD_TITLE: Triphenylphosphine oxide; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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 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: splash10-0fb9-9800000000-5240a76cce14b6078227
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  51.031 50.4 475
  67.9864 1.5 14
  68.9928 10.9 102
  74.0186 1.1 10
  77.0418 105.8 999
  78.0499 1.2 11
  95.006 15.6 147
  102.0467 2.4 22
  107.0047 9.4 88
  115.0548 10.3 97
  126.05 1.9 17
  127.0562 5.7 53
  128.0631 21.6 203
  129.0716 3.1 29
  133.0212 10.7 101
  139.0539 4.1 38
  141.0694 3.1 29
  144.0121 1.5 14
  145.0195 2.7 25
  151.0563 4.9 46
  152.062 32.3 304
  153.07 12.2 115
  154.0776 1.8 16
  157.0202 8.9 84
  169.0211 1.2 11
  170.0287 15.6 147
  171.0351 6.3 59
  173.0478 1.1 10
  181.0226 2.6 24
  183.0357 9.2 86
//
