ACCESSION: MSBNK-BAFG-CSL23111012382
RECORD_TITLE: Tetraoctylphosphonium; LC-ESI-QTOF; MS2; 120 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 120
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$SPLASH: splash10-01t9-9300000000-31b5913d6eefd023d0bc
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  39.0235 4 108
  41.0388 10 272
  43.0546 5.6 152
  43.9813 3.9 106
  44.989 5.6 152
  45.997 8.8 239
  47.005 2.5 68
  48.0124 4.6 125
  55.0542 7.6 206
  56.9884 8.1 220
  57.0705 2.3 62
  59.0042 10 272
  61.02 24.5 666
  62.0276 27.4 745
  69.0691 3.3 89
  73.0188 5.9 160
  74.0275 3.9 106
  75.0349 24.2 658
  76.0428 36.7 999
  87.0342 2.9 78
  88.0429 4 108
  89.0493 10.7 291
  90.0574 9.4 255
  101.0497 7.3 198
  102.0578 3.7 100
  103.0653 8.5 231
  115.0652 8.3 225
  116.0722 1.9 51
  117.0814 6.8 185
  129.0816 4.9 133
  131.0971 8.4 228
  143.0969 3.9 106
  145.1133 6.2 168
  157.1138 3.9 106
  159.1285 3.9 106
  171.1298 2.7 73
  173.1453 3.3 89
  185.1458 2.4 65
  187.1608 5.3 144
  201.1762 3.7 100
  213.1763 2.7 73
  215.1927 2 54
  229.2099 3.1 84
  243.2256 2 54
//
