ACCESSION: MSBNK-BAFG-CSL231109457
RECORD_TITLE: Triphenyl(2-pyridylmethyl)phosphonium; 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$NAME: Triphenyl(2-pyridylmethyl)phosphonium
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 8.341 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$SPLASH: splash10-0zfr-1900000000-161a85ce64e185e6b9d7
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  56.9933 12.1 74
  65.0424 15.5 95
  79.9833 21.7 133
  80.9906 38.3 236
  89.0392 40.4 249
  102.0465 16.5 101
  107.0054 161.8 999
  113.0386 16.6 102
  115.0546 63.1 389
  126.0462 44 271
  131.0043 14.2 87
  133.0198 12.4 76
  139.0545 58 358
  150.0462 26.9 166
  151.0545 84 518
  152.0625 158.7 979
  156.0123 16.4 101
  157.0204 77.7 479
  180.0126 10.2 62
  181.0203 64.2 396
  183.0354 14.6 90
//