ACCESSION: MSBNK-BAFG-CSL231109259
RECORD_TITLE: Tetraphenylphosphonium; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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-0900000000-6232cff420c3ca1c48c2
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  79.9828 14 106
  80.9904 20.4 154
  89.039 22.4 169
  102.0454 10 75
  107.0047 96 727
  113.0388 8.3 62
  115.0547 47.1 356
  126.0459 25.6 193
  131.0051 11 83
  133.0204 10.6 80
  139.0538 40.4 305
  150.0469 20 151
  151.0544 60.5 458
  152.0618 131.9 999
  156.012 9.9 74
  157.0202 69.5 526
  181.0205 52.6 398
  183.0355 23 174
//
