ACCESSION: MSBNK-BAFG-CSL2311095702
RECORD_TITLE: (Methoxymethyl)diphenylphosphine 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$NAME: (Methoxymethyl)diphenylphosphine oxide
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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 8.67 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$SPLASH: splash10-0kai-2900000000-45f1f01987627bde03b9
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  45.0425 17.4 354
  51.0305 1.2 24
  65.0432 5.8 118
  77.0416 5.6 114
  78.0484 0.6 12
  79.9817 0.6 12
  80.9897 0.8 16
  83.0047 0.7 14
  89.0409 1.8 36
  91.0564 9.7 197
  102.0441 0.7 14
  107.0042 8.9 181
  108.0123 1.5 30
  109.0206 2.8 57
  115.0545 13.1 267
  126.0451 1.9 38
  128.0593 1 20
  131.0088 0.7 14
  133.0207 4.5 91
  139.0538 10 203
  141.0698 1.1 22
  144.009 0.5 10
  150.0472 0.7 14
  151.0539 5.1 103
  152.0622 49 999
  156.0109 0.9 18
  157.0198 23.3 475
  165.0679 1 20
  170.0294 2.1 42
  181.0194 6.6 134
  182.0301 2.3 46
  183.0353 46.1 939
  199.0294 0.6 12
//