ACCESSION: MSBNK-BAFG-CSL23111012278
RECORD_TITLE: Tributyltetradecylphosphonium; LC-ESI-QTOF; MS2; 70 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$NAME: Tributyltetradecylphosphonium
CH$FORMULA: [C26H56P]+
CH$EXACT_MASS: 399.4114
CH$SMILES: CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
CH$IUPAC: InChI=1S/C26H56P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-26H2,1-4H3/q+1
CH$LINK: CAS 91582-83-1
CH$LINK: INCHIKEY YCBRTSYWJMECAH-UHFFFAOYSA-N
AC$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 70
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$CHROMATOGRAPHY: RETENTION_TIME 14.891 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 399.4114
MS$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$SPLASH: splash10-004i-7693000000-ccbb94278fad231730c0
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  61.0204 21.4 125
  62.0281 46.9 275
  75.0354 26.8 157
  76.0431 170 999
  89.0501 20.7 121
  90.0581 62.3 366
  103.0659 14 82
  104.0735 22.7 133
  117.0819 24.6 144
  131.0978 58.8 345
  145.1136 39.3 230
  159.1297 23.1 135
  173.1456 92.8 545
  187.1612 57 334
  201.1774 34.1 200
  215.1928 76.1 447
  229.2084 152.1 893
  243.2237 31.5 185
  257.2393 31.7 186
  271.2549 42.6 250
  285.2717 40.6 238
  299.2869 34.3 201
  313.3027 36.2 212
  327.3178 30.2 177
  343.3486 20.8 122
  399.4125 102.6 602
//
