ACCESSION: MSBNK-BAFG-CSL23111012374
RECORD_TITLE: Tetraoctylphosphonium; 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$NAME: Tetraoctylphosphonium
CH$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 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$CHROMATOGRAPHY: RETENTION_TIME 16.405 min
AC$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$SPLASH: splash10-01t9-9420000000-632c269646cdd40d4cda
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  39.0236 3.5 78
  41.0392 10.6 236
  43.0549 5.7 127
  43.9814 3.3 73
  44.9891 4.7 104
  45.997 8.2 182
  47.0046 3 66
  48.0121 4.4 98
  55.0543 9.7 216
  56.9889 7.2 160
  57.0695 3.6 80
  59.0043 9.2 205
  61.0202 23.6 526
  62.028 33 735
  69.0693 5.8 129
  73.0202 5.1 113
  74.0275 3.6 80
  75.0353 26.8 597
  76.043 44.8 999
  87.0348 2.4 53
  88.0422 5.2 115
  89.05 14.5 323
  90.0575 14.8 330
  101.0501 7 156
  102.0574 5.5 122
  103.066 12.7 283
  115.0653 9.4 209
  116.0735 2.7 60
  117.0811 11.8 263
  129.082 7.5 167
  131.0972 13.7 305
  143.0977 4.5 100
  145.1132 12.6 280
  157.1146 4.1 91
  159.1293 8.7 194
  171.1314 4.8 107
  173.1464 8.7 194
  185.1476 4.4 98
  187.1611 12.1 269
  199.1604 4.4 98
  201.177 8.8 196
  213.1772 4 89
  215.1934 8.9 198
  227.1979 2.7 60
  229.2084 10.9 243
  241.2082 4.1 91
  243.223 6.6 147
  255.2264 3.2 71
  257.24 4.5 100
  271.2545 3.1 69
  285.2715 5.4 120
  299.2829 2.7 60
  327.315 2.7 60
//
