ACCESSION: MSBNK-BAFG-CSL2311093144
RECORD_TITLE: Ethyldiphenylphosphine oxide; LC-ESI-QTOF; MS2; 100 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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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$SPLASH: splash10-0udi-5900000000-3468a482dc0ba380593a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  46.9995 3.6 105
  51.03 16.5 483
  56.9928 3 87
  65.0427 5.1 149
  68.9934 1.1 32
  74.0174 1.6 46
  76.0337 1.8 52
  77.0411 19 556
  78.0485 7.8 228
  79.9847 1.5 43
  80.9902 2 58
  83.007 1.1 32
  89.0398 3.5 102
  91.0544 1.6 46
  102.0472 3.6 105
  107.0046 6.6 193
  115.0542 5.9 172
  126.0458 7.8 228
  127.0531 2.3 67
  128.0629 1.5 43
  131.0057 1.3 38
  139.0544 5.1 149
  150.0465 6.4 187
  151.0547 18.5 541
  152.062 34.1 999
  156.012 1.1 32
  157.0197 4.3 125
  163.056 2.2 64
  164.0624 2 58
  165.0691 2.2 64
  170.029 2.8 82
  180.0121 1.2 35
  181.0213 6 175
  183.0342 1.9 55
  194.0277 1.1 32
  199.0295 1.6 46
//