ACCESSION: MSBNK-BAFG-CSL2311093148
RECORD_TITLE: Ethyldiphenylphosphine oxide; LC-ESI-QTOF; MS2; 140 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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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$SPLASH: splash10-0udi-9200000000-a302d4225f8235c9bd90
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  47.0169 1 52
  51.0305 18.9 999
  55.9875 1.6 84
  56.994 2.8 148
  65.0461 1 52
  67.9845 1.6 84
  73.0112 0.8 42
  74.0188 7.3 385
  75.0262 1.8 95
  76.034 2.3 121
  77.0422 3.1 163
  78.0488 0.9 47
  78.9754 1.8 95
  79.9836 6 317
  80.9913 2.7 142
  85.0087 1 52
  86.0173 2.9 153
  87.0247 1.6 84
  89.0404 1.3 68
  91.9823 0.8 42
  98.0159 2.8 148
  99.0228 1.2 63
  102.0491 1.3 68
  103.9823 1.7 89
  107.005 2.1 111
  115.9814 1.1 58
  126.0466 1.8 95
  149.0403 0.9 47
  150.0464 5.5 290
  151.055 1.2 63
//