ACCESSION: MSBNK-BAFG-CSL2311095705
RECORD_TITLE: (Methoxymethyl)diphenylphosphine oxide; LC-ESI-QTOF; MS2; 90 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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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$SPLASH: splash10-0zfr-3900000000-87e7d6494bfe81038c48
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  45.0432 11.2 573
  51.029 1.5 76
  56.9987 1 51
  65.0431 4.9 251
  74.0212 0.5 25
  76.0343 1 51
  77.0419 2.1 107
  77.0573 0.5 25
  78.05 0.7 35
  79.9832 1.1 56
  80.9909 2.1 107
  83.0052 0.5 25
  87.0251 0.4 20
  89.0414 3.9 199
  91.0563 3.8 194
  91.985 0.6 30
  102.0477 1 51
  102.057 0.5 25
  103.9799 0.6 30
  104.9944 0.6 30
  107.0051 11.3 578
  109.0216 0.4 20
  113.0408 1.4 71
  115.054 6.9 353
  126.0474 4.5 230
  128.0616 0.4 20
  131.0043 1.2 61
  133.0204 1.8 92
  139.055 5.4 276
  144.0242 0.4 20
  150.0456 2.3 117
  151.0546 8.5 435
  152.0623 19.5 999
  155.0065 0.6 30
  156.013 1.6 81
  157.0211 9.6 491
  179.0104 0.4 20
  180.0114 1.4 71
  181.0193 6.9 353
  183.0367 3 153
//