ACCESSION: MSBNK-BAFG-CSL2311093543
RECORD_TITLE: Triethylphosphine oxide; LC-ESI-QTOF; MS2; 50 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$NAME: Triethylphosphine oxide
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₆H₁₅OP
CH$EXACT_MASS: 134.0861
CH$SMILES: CC[P](=O)(CC)CC
CH$IUPAC: InChI=1S/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
CH$LINK: CAS 597-50-2
CH$LINK: INCHIKEY ZSSWXNPRLJLCDU-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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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 5.148 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 135.0933
MS$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$SPLASH: splash10-03fr-9000000000-3ffc7aca93215ec8fb23
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  44.9973 3.3 96
  47.0228 0.8 23
  49.9983 9.2 268
  51.0048 1.4 40
  55.9938 0.6 17
  56.9946 10.8 315
  59.0099 6.3 184
  61.0245 3.5 102
  62.9669 0.8 23
  63.0042 34.2 999
  63.0369 0.7 20
  73.0251 0.4 11
  77.0179 16.2 473
  78.0256 7.4 216
  79.0329 0.9 26
  91.0318 0.6 17
  92.0413 1.6 46
  107.064 0.5 14
  135.0937 0.5 14
//