ACCESSION: MSBNK-BAFG-CSL2311093150
RECORD_TITLE: Ethyldiphenylphosphine oxide; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-056r-2910000000-72d1d4d3bc0f7a0cde04
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  47.0092 1.5 28
  51.0277 1.7 32
  65.0423 9 173
  75.0023 1.8 34
  77.0413 26.3 507
  78.0483 11.9 229
  79.0563 4.8 92
  83.0061 8.4 162
  91.0556 6.1 117
  103.0539 4.1 79
  105.0699 12.3 237
  107.0047 2 38
  109.02 37.2 717
  115.0531 3.1 59
  125.0151 51.8 999
  127.0529 1.8 34
  128.0612 2 38
  133.0196 1.8 34
  139.0536 1.5 28
  151.0528 1.5 28
  152.062 15.8 304
  153.0473 3 57
  153.0688 6.3 121
  154.0778 3.4 65
  155.0844 3.6 69
  157.0193 3.6 69
  165.0693 8.6 165
  170.0254 1.3 25
  181.0191 1.3 25
  182.0283 1.5 28
  183.0349 35.5 684
  194.0278 1.7 32
  195.0351 2.7 52
  197.0515 3.2 61
  199.0303 35.1 676
  200.0375 9.3 179
  201.0448 2.4 46
  215.0607 21 405
//