ACCESSION: MSBNK-BAFG-CSL23111012276
RECORD_TITLE: Tributyltetradecylphosphonium; LC-ESI-QTOF; MS2; 110 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 110
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$SPLASH: splash10-01t9-9100000000-7eaae36dbc05f57ad496
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  39.0232 4.3 63
  41.039 8 118
  43.9813 5.2 76
  44.9893 8.6 127
  45.997 13.8 204
  47.0048 6.1 90
  56.9889 18 266
  59.0047 24.2 358
  61.0202 66.3 981
  62.028 36.6 541
  73.0196 6.5 96
  75.0355 40.9 605
  76.0431 67.5 999
  88.0419 4.9 72
  89.05 8.5 125
  90.058 10.5 155
  101.0494 4 59
  103.0658 5.8 85
  115.0661 6.6 97
  117.0812 5.3 78
  131.0977 10.6 156
  145.1137 4.6 68
  173.1453 5.5 81
//
