ACCESSION: MSBNK-BAFG-CSL2311095704
RECORD_TITLE: (Methoxymethyl)diphenylphosphine oxide; LC-ESI-QTOF; MS2; 80 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$NAME: (Methoxymethyl)diphenylphosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₁₄H₁₅O₂P
CH$EXACT_MASS: 246.081
CH$SMILES: COC[P](=O)(c1ccccc1)c2ccccc2
CH$IUPAC: InChI=1S/C14H15O2P/c1-16-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
CH$LINK: CAS 4455-77-0
CH$LINK: INCHIKEY OEPKDBQOTLDTNC-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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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 8.67 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 247.0882
MS$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$SPLASH: splash10-0zfr-2900000000-05d325e17fdcc0e2bf1d
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  45.0434 13.4 361
  51.0273 1.2 32
  56.994 0.8 21
  63.0368 0.5 13
  65.043 4.6 124
  74.021 0.4 10
  77.0424 3.7 99
  78.0476 0.6 16
  79.984 0.5 13
  80.9907 1.4 37
  83.0074 0.9 24
  89.0405 2.6 70
  91.0566 5.3 143
  102.0487 1.9 51
  107.0054 11.2 302
  108.0118 0.6 16
  109.0203 1 27
  113.0384 0.9 24
  115.0543 11.7 315
  126.0479 3 81
  128.0613 1.1 29
  131.006 1.6 43
  133.0195 3 81
  139.0551 9.6 259
  144.015 0.6 16
  150.0478 1.8 48
  151.0547 6.7 180
  152.0627 37 999
  155.0047 0.5 13
  156.013 1.7 45
  157.0203 18.8 507
  165.0722 0.7 18
  170.0274 0.8 21
  180.0233 0.5 13
  181.0207 7.2 194
  182.0238 1 27
  183.0361 12.1 326
  199.0344 0.5 13
//