ACCESSION: MSBNK-BAFG-CSL231109253
RECORD_TITLE: Tetraphenylphosphonium; LC-ESI-QTOF; MS2; 140 V
DATE: 2023.11.09
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$NAME: Tetraphenylphosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: [C24H20P]+
CH$EXACT_MASS: 339.1297
CH$SMILES: c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
CH$IUPAC: InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
CH$LINK: CAS 18198-39-5
CH$LINK: INCHIKEY USFPINLPPFWTJW-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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 8.633 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 339.1297
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: splash10-0zfr-1900000000-4ab93a0a8bc8a9bd17c8
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  56.9942 5.9 70
  65.0428 6.2 74
  74.0185 4.9 58
  76.0337 5.8 69
  78.9752 5.1 61
  79.9832 15.9 190
  80.9905 23 275
  87.0246 4.9 58
  89.039 25.1 300
  102.0462 12.6 150
  103.9814 4.4 52
  107.0048 83.4 999
  113.0385 8.7 104
  115.0545 34.5 413
  126.0466 28 335
  131.0045 10.7 128
  133.0185 6.5 77
  139.0539 29 347
  150.0461 25.6 306
  151.0543 55 658
  152.0622 76.3 913
  155.0057 7.2 86
  156.0125 11.5 137
  157.0202 46.7 559
  179.0034 4.5 53
  180.0123 5.4 64
  181.0202 47.8 572
  183.035 7.5 89
//
