ACCESSION: MSBNK-BAFG-CSL2311096150
RECORD_TITLE: Triphenylphosphine oxide; LC-ESI-QTOF; MS2; 120 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$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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$SPLASH: splash10-0udi-9500000000-ad20a88b439943f7e90c
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  51.0302 43.7 999
  56.9937 0.6 13
  65.0437 1.2 27
  67.9842 3 68
  68.9939 6.2 141
  73.0091 0.5 11
  74.0184 2.9 66
  75.0274 1.4 32
  76.0347 1.9 43
  77.0414 14.1 322
  78.0499 1.6 36
  79.9854 1 22
  80.9908 1.5 34
  87.0231 0.5 11
  89.0412 2.5 57
  91.9823 1.1 25
  95.0065 0.5 11
  101.0405 0.8 18
  102.0484 3.3 75
  107.0047 5.4 123
  113.0398 1 22
  115.0552 3.7 84
  126.0456 4.4 100
  127.0547 1.9 43
  128.0612 2 45
  131.0036 0.7 16
  133.0209 0.6 13
  139.0546 1.9 43
  144.0109 0.8 18
  150.0479 3.2 73
  151.0527 5.1 116
  152.0621 9.1 208
  153.0703 0.7 16
  157.02 1.4 32
  168.0148 0.8 18
  169.021 0.6 13
  170.0298 1.4 32
  179.0033 0.5 11
  180.0108 0.6 13
  181.0229 1.8 41
//