ACCESSION: MSBNK-BAFG-CSL231109255
RECORD_TITLE: Tetraphenylphosphonium; LC-ESI-QTOF; MS2; 150 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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: splash10-0zgi-2900000000-f6ac217b50db96f2bfbc
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  56.994 6.5 98
  65.0436 6.2 93
  74.0181 7 105
  76.0329 6.8 102
  78.9757 6.2 93
  79.983 18.6 281
  80.9911 26.2 395
  87.0237 6.4 96
  89.0396 25.2 380
  102.0462 11 166
  103.9809 6 90
  107.0049 66.1 999
  113.0394 8.5 128
  115.0544 22.3 337
  126.0464 26.9 406
  131.0046 10.8 163
  133.0194 3.7 55
  139.0542 16.8 253
  150.0462 26.9 406
  151.0547 47.1 711
  152.0622 44.6 674
  155.0042 7 105
  156.0118 5.4 81
  157.021 26.3 397
  179.0055 4.7 71
  180.0123 10 151
  181.0206 35.2 531
//
