ACCESSION: MSBNK-BAFG-CSL231109469
RECORD_TITLE: Triphenyl(2-pyridylmethyl)phosphonium; 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$NAME: Triphenyl(2-pyridylmethyl)phosphonium
CH$FORMULA: [C24H21NP]+
CH$EXACT_MASS: 354.1406
CH$SMILES: c1ccc(cc1)[P+](Cc2ccccn2)(c3ccccc3)c4ccccc4
CH$IUPAC: InChI=1S/C24H21NP/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21/h1-19H,20H2/q+1
CH$LINK: CAS 99662-46-1
CH$LINK: INCHIKEY KAYCSCULGYYNFT-UHFFFAOYSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 8.341 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 354.1406
MS$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$SPLASH: splash10-0zfr-0900000000-ad6686602f05b297a3a1
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  56.9939 11.3 50
  65.0429 11.6 52
  79.9832 16.3 73
  80.991 31.6 142
  89.0395 31 139
  102.0471 13 58
  107.0055 177.4 799
  115.0549 80.8 364
  126.0464 31.3 141
  131.0048 12.4 55
  133.0206 17.8 80
  139.0547 68.5 308
  150.0467 17.2 77
  151.0546 87.3 393
  152.0627 221.6 999
  156.012 14.2 64
  157.0206 114 513
  181.0206 62.3 280
  183.0357 42.4 191
//
