ACCESSION: MSBNK-BAFG-CSL2311093154
RECORD_TITLE: Ethyldiphenylphosphine oxide; LC-ESI-QTOF; MS2; 150 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$NAME: Ethyldiphenylphosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₁₄H₁₅OP
CH$EXACT_MASS: 230.0861
CH$SMILES: CC[P](=O)(c1ccccc1)c2ccccc2
CH$IUPAC: InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
CH$LINK: CAS 1733-57-9
CH$LINK: INCHIKEY AKTGKEBIBGSCLD-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 8.816 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 231.0933
MS$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$SPLASH: splash10-0ufs-9100000000-6361b43153ae20680ce5
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  47.0087 6.9 482
  51.0293 14.3 999
  52.0359 1.2 83
  56.9939 2 139
  67.984 1.6 111
  73.0097 1.6 111
  74.0183 8.2 572
  75.0253 1.6 111
  76.0356 1 69
  77.0408 1.8 125
  78.9752 3.7 258
  79.984 5.5 384
  80.9908 1.9 132
  85.0087 1.4 97
  86.0169 2.7 188
  87.0237 1.6 111
  91.9829 1 69
  98.0157 3.9 272
  103.9815 1 69
  107.0044 1.4 97
  115.9815 0.9 62
  126.0454 1.4 97
  150.0469 2.3 160
//