ACCESSION: MSBNK-BAFG-CSL23111012281
RECORD_TITLE: Tributyltetradecylphosphonium; LC-ESI-QTOF; MS2; 80 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 80
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$SPLASH: splash10-004i-9650000000-de130d228a1a7a54b869
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  59.0041 11 63
  61.02 33.9 194
  62.0278 45 258
  75.0351 41.6 238
  76.0428 174 999
  89.0494 21.3 122
  90.0577 51.7 296
  103.0654 20.1 115
  104.0729 9.9 56
  117.0812 27.8 159
  131.0976 54.9 315
  145.1132 32.6 187
  159.1288 20.7 118
  173.1456 71.5 410
  187.1607 39.4 226
  201.1764 19.9 114
  215.1927 46 264
  229.2082 91 522
  243.2233 16.1 92
  257.2397 14.4 82
  271.2555 18.5 106
  285.2695 15.7 90
  299.2855 11.8 67
  313.3032 11.4 65
  327.3178 9 51
//
