ACCESSION: MSBNK-BAFG-CSL231109467
RECORD_TITLE: Triphenyl(2-pyridylmethyl)phosphonium; 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$NAME: Triphenyl(2-pyridylmethyl)phosphonium
CH$COMPOUND_CLASS:
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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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 8.341 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$SPLASH: splash10-0pc0-2900000000-c816c9d465b868c5598b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  56.9934 14.8 116
  65.042 14.3 112
  79.9827 26.8 210
  80.9903 38.6 303
  89.0388 41.1 323
  102.0461 15.7 123
  107.0047 126.9 999
  113.0379 14.5 114
  115.054 42.5 334
  126.046 40.7 320
  131.0038 13.5 106
  133.0193 7.9 62
  139.0536 37.9 298
  150.0458 31.6 248
  151.0535 69 543
  152.0614 85 669
  156.0109 12.9 101
  157.0195 44.5 350
  180.0112 11.8 92
  181.0196 51.2 403
//