ACCESSION: MSBNK-BAFG-CSL2311093545
RECORD_TITLE: Triethylphosphine oxide; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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$SPLASH: splash10-0a4m-9000000000-c2e63b23b1d33776da7a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  43.9872 0.8 137
  44.9963 5.2 895
  47.006 0.8 137
  47.0138 1.9 327
  48.0052 0.7 120
  49.9973 0.8 137
  55.9873 0.9 155
  56.9952 5.8 999
  57.0098 0.7 120
  59.0083 1.1 189
  63.004 3.8 654
//