ACCESSION: MSBNK-BAFG-CSL23111012377
RECORD_TITLE: Tetraoctylphosphonium; 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$NAME: Tetraoctylphosphonium
CH$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 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$CHROMATOGRAPHY: RETENTION_TIME 16.405 min
AC$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$SPLASH: splash10-004l-2379100000-0889ad92792a034f10e2
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  62.0278 40.3 195
  75.035 21.5 104
  76.043 79.5 386
  89.0501 18.6 90
  90.0578 38.2 185
  103.0659 23.1 112
  117.0817 26.6 129
  131.0979 31.3 152
  145.1139 42.5 206
  159.1298 30.3 147
  173.1455 40.8 198
  187.1615 62.2 302
  201.1771 47.7 231
  215.1931 73.2 355
  229.2087 97.4 473
  243.2244 79.8 387
  257.2399 58.4 283
  271.2555 41.8 203
  285.2708 117.4 570
  299.2861 65.9 320
  313.3022 81 393
  327.3178 205.6 999
  341.3337 149.2 724
  355.3501 46.9 227
  369.3645 30.9 150
  371.3798 43.5 211
  383.3803 34.1 165
  397.3973 116.6 566
  483.5062 154.5 750
//
