ACCESSION: MSBNK-BAFG-CSL2311093535
RECORD_TITLE: Triethylphosphine oxide; LC-ESI-QTOF; MS2; 30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30
AC$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$SPLASH: splash10-002r-9800000000-88334e8b21d9a24af32f
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  49.9991 7.7 25
  56.9948 5.9 19
  59.0094 7.3 24
  61.0253 21.6 71
  63.0043 18.6 61
  75.0397 3.2 10
  77.0184 47.7 157
  78.0268 116.7 386
  79.0334 9.4 31
  89.0527 9.8 32
  92.0411 140.7 465
  105.0473 3.3 10
  106.0551 26.9 88
  107.0628 45.4 150
  135.0945 302 999
//