ACCESSION: MSBNK-BAFG-CSL2311106540
RECORD_TITLE: Tributylphosphine oxide; LC-ESI-QTOF; MS2; 50 V
DATE: 2023.11.10
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$NAME: Tributylphosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C12H27OP
CH$EXACT_MASS: 218.18
CH$SMILES: CCCC[P](=O)(CCCC)CCCC
CH$IUPAC: InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
CH$LINK: CAS 814-29-9
CH$LINK: INCHIKEY MNZAKDODWSQONA-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 11.114 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 219.1872
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: splash10-004i-9100000000-3e7e42088bde1134b5df
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  44.9947 3.1 12
  55.0603 5.6 22
  56.9944 5.2 20
  57.0749 12.2 48
  59.0089 6.3 25
  61.0245 14.1 56
  63.0052 155.3 617
  77.0184 101.9 405
  78.0264 251.1 999
  79.0561 2.9 11
  89.052 5.7 22
  91.0317 13.5 53
  91.0544 7.8 31
  92.0403 146.7 583
  105.0466 18.2 72
  105.0689 5.6 22
  107.062 14.3 56
  117.0694 2.9 11
  119.0622 4.6 18
  119.0837 2.7 10
  133.0773 26.7 106
  135.0925 3.9 15
  147.0928 29.9 118
  161.1085 10.9 43
  163.1242 23.7 94
  175.1236 14.2 56
  191.1545 4 15
  219.1861 18 71
//
