ACCESSION: MSBNK-BAFG-CSL2311095695
RECORD_TITLE: (Methoxymethyl)diphenylphosphine 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$NAME: (Methoxymethyl)diphenylphosphine oxide
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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 8.67 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$SPLASH: splash10-0zfs-4900000000-0758d4d8e47bbf739498
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  45.0434 10.5 999
  51.0309 2.5 237
  56.9929 0.7 66
  65.0423 3.8 361
  74.0194 0.8 76
  76.035 1 95
  77.0413 2.7 256
  78.0468 0.8 76
  78.0542 0.5 47
  79.9827 1.2 114
  80.992 2.7 256
  86.0163 0.6 57
  87.0256 0.7 66
  89.0407 3.4 323
  91.0574 2.4 228
  98.0157 0.5 47
  100.0358 0.5 47
  102.0485 1.6 152
  103.9782 0.9 85
  104.9869 0.6 57
  107.0039 8.7 827
  113.0398 1.2 114
  115.0561 4.6 437
  125.039 0.5 47
  126.0463 4.2 399
  128.064 0.5 47
  131.005 1.2 114
  133.0191 1.2 114
  137.036 0.5 47
  139.0537 3.2 304
  144.0094 0.7 66
  150.0455 4.2 399
  151.0556 6.5 618
  152.0616 9.5 903
  154.9993 0.4 38
  155.0099 0.7 66
  156.01 1.1 104
  156.0228 0.4 38
  157.0197 5.3 504
  179.008 0.8 76
  180.0115 0.9 85
  181.0199 6.2 589
  183.0362 0.7 66
//