ACCESSION: MSBNK-BAFG-CSL2311093534
RECORD_TITLE: Triethylphosphine oxide; LC-ESI-QTOF; MS2; 40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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$SPLASH: splash10-01t9-9000000000-2bee63afe202a836371a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  44.9948 1 20
  48.0036 1.3 26
  49.9981 14.4 290
  51.0048 2 40
  56.9943 9.9 199
  59.0098 11.1 224
  61.0251 10.1 203
  62.9664 1 20
  63.0047 41.9 845
  64.0377 1.3 26
  73.0237 0.8 16
  75.0384 0.7 14
  77.0182 46.3 934
  78.0262 49.5 999
  79.0336 5.4 108
  89.0538 1.3 26
  91.032 0.9 18
  92.0403 24.5 494
  105.0479 0.8 16
  106.0536 2.7 54
  107.0622 8.5 171
  135.0935 10.5 211
//