ACCESSION: MSBNK-BAFG-CSL2311095707
RECORD_TITLE: (Methoxymethyl)diphenylphosphine oxide; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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$SPLASH: splash10-0k92-9300000000-50cd23dc00e463774cd6
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  45.0443 6.9 999
  50.0328 0.5 72
  51.0314 3 434
  55.9922 0.5 72
  56.9952 1.4 202
  65.0435 0.9 130
  74.018 1.3 188
  76.0341 0.7 101
  76.0424 0.6 86
  77.0411 0.6 86
  77.0517 0.4 57
  78.0516 0.5 72
  78.9761 0.5 72
  79.9846 2.6 376
  80.9923 1.6 231
  86.0162 0.6 86
  87.0262 1 144
  89.0435 1.2 173
  91.9833 0.6 86
  98.0182 0.6 86
  102.9733 0.6 86
  103.9816 0.7 101
  107.0047 2.5 361
  125.0383 0.5 72
  126.0481 0.9 130
  127.9802 0.4 57
  150.0474 2 289
  151.0546 1 144
  155.0054 0.8 115
  179.0021 0.5 72
  180.0123 0.5 72
  181.02 0.8 115
//