ACCESSION: MSBNK-BAFG-CSL23111012372
RECORD_TITLE: Tetraoctylphosphonium; LC-ESI-QTOF; MS2; 130 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$NAME: Tetraoctylphosphonium
CH$FORMULA: [C32H68P]+
CH$EXACT_MASS: 483.5053
CH$SMILES: CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
CH$IUPAC: InChI=1S/C32H68P/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1
CH$LINK: CAS 45308-00-7
CH$LINK: INCHIKEY WFIYFFUAOQKJJS-UHFFFAOYSA-N
AC$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 130
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$CHROMATOGRAPHY: RETENTION_TIME 16.405 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 483.5053
MS$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$SPLASH: splash10-01t9-9100000000-32fc5b14a092a52a0804
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  39.0233 6.3 182
  41.0389 11.8 341
  43.0545 4.9 141
  43.9809 5.2 150
  44.9889 8.9 257
  45.9971 13.2 382
  47.0046 5.3 153
  48.0127 5.5 159
  55.0542 7.5 217
  56.9887 11.8 341
  57.0684 2 57
  59.0043 16.1 466
  61.0199 30.5 883
  62.0277 29.1 842
  69.069 3.1 89
  71.003 2.3 66
  73.0193 7.4 214
  74.0272 3.4 98
  75.035 26.9 778
  76.0428 34.5 999
  85.0184 2 57
  87.0337 1.9 55
  88.0426 3.6 104
  89.0498 10.6 306
  90.0575 7.6 220
  101.0499 6.3 182
  102.0577 2.8 81
  103.0658 7.6 220
  115.0659 8 231
  117.0814 5.1 147
  129.0814 4.4 127
  131.0971 5.4 156
  143.0977 3.6 104
  145.1133 4.1 118
  157.1123 1.8 52
  159.1289 2.1 60
  187.1631 1.8 52
//
