ACCESSION: MSBNK-BAFG-CSL2311093141
RECORD_TITLE: Ethyldiphenylphosphine oxide; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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$SPLASH: splash10-0fc1-3900000000-4b1a53e145ef3ff2a188
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  51.029 5.5 139
  56.994 1.9 48
  65.0426 9.4 238
  77.0417 31.3 793
  78.0491 12.3 311
  79.0568 3.4 86
  83.0067 7.7 195
  91.0561 5.3 134
  103.0555 3.1 78
  105.0704 3.1 78
  107.0048 3 76
  109.0205 11.1 281
  115.0547 5.6 141
  125.0152 9.2 233
  127.0546 2.3 58
  128.0634 2.9 73
  139.0543 3.3 83
  151.0552 4.5 114
  152.0626 37.1 940
  153.0703 7.3 185
  154.0779 2.1 53
  157.0207 8.3 210
  165.0699 10.9 276
  170.0277 2.1 53
  181.0206 3 76
  182.0276 1.5 38
  183.0365 27.2 689
  194.0274 3.2 81
  195.0344 2.2 55
  199.0316 39.4 999
  200.0399 2.8 70
  215.0624 3.8 96
//