ACCESSION: MSBNK-BAFG-CSL2311106534
RECORD_TITLE: Tributylphosphine oxide; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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: splash10-01t9-9000000000-ff53901fd17212b2e5a3
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  44.9962 6.9 35
  55.0597 3.9 19
  56.9936 5.6 28
  57.0744 3.1 15
  59.0091 6.5 33
  61.0247 6.1 31
  63.0052 196.1 999
  77.0188 110.6 563
  78.0262 116.6 594
  79.0559 2.5 12
  91.0328 5.4 27
  91.0551 7.1 36
  92.0403 50.7 258
  103.0558 2.3 11
  105.047 10.5 53
  105.0699 3.1 15
  107.0624 2.2 11
  115.0539 4.1 20
  119.0617 3.3 16
  128.0619 2.9 14
  129.0708 2.2 11
  133.0772 10.2 51
  147.0931 5.8 29
//
