ACCESSION: MSBNK-BAFG-CSL231109840
RECORD_TITLE: Tetrabutylphosphonium; LC-ESI-QTOF; MS2; 50 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$NAME: Tetrabutylphosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: [C16H36P]+
CH$EXACT_MASS: 259.2549
CH$SMILES: CCCC[P+](CCCC)(CCCC)CCCC
CH$IUPAC: InChI=1S/C16H36P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
CH$LINK: CAS 15853-37-9
CH$LINK: INCHIKEY BJQWBACJIAKDTJ-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 9.655 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 259.2549
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-056r-9430000000-1f4b27d9d7b3f02450f1
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  56.994 11.4 69
  59.0097 10.6 64
  61.0251 34.4 208
  62.0329 47.1 285
  75.0386 24.6 149
  76.0463 164.9 999
  89.0522 15.2 92
  90.0599 55.7 337
  103.0678 10.4 63
  117.0825 11.3 68
  131.0986 36.2 219
  145.1143 22 133
  173.1455 54.3 328
  187.1613 35.7 216
  203.1925 38.7 234
  259.2553 99.7 604
//
