ACCESSION: MSBNK-BAFG-CSL2311106528
RECORD_TITLE: Tributylphosphine oxide; LC-ESI-QTOF; MS2; 40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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 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: splash10-02dl-9530000000-01fcb1f656862e2d5651
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  55.0592 6.1 32
  56.9929 3.3 17
  57.0753 10.3 54
  59.0094 4.6 24
  61.0246 10.5 55
  63.0047 69.7 367
  77.0184 48.5 255
  78.0266 153.4 808
  79.0557 2.5 13
  89.0529 9 47
  91.0314 7.6 40
  91.0548 6.1 32
  92.0407 127.8 673
  103.067 5.6 29
  105.0472 16.2 85
  105.07 6.2 32
  106.0547 9.8 51
  107.0622 22.5 118
  117.0699 2.6 13
  119.061 4.7 24
  119.0843 5 26
  120.0695 13.8 72
  133.0777 24.6 129
  135.0928 6.3 33
  145.101 2.2 11
  145.113 2.6 13
  147.0935 29.8 157
  161.1086 23.1 121
  163.1248 82.8 436
  175.1248 18.6 98
  177.1394 5.3 27
  191.1555 21.6 113
  203.1426 11.5 60
  219.1869 189.6 999
//
