ACCESSION: MSBNK-BAFG-CSL23111011548
RECORD_TITLE: Benzyltriphenylphosphonium; LC-ESI-QTOF; MS2; 150 V
DATE: 2023.11.10
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$NAME: Benzyltriphenylphosphonium
CH$COMPOUND_CLASS:
CH$FORMULA: C₂₅H₂₂P⁺
CH$EXACT_MASS: 353.1454
CH$SMILES: C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
CH$IUPAC: InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1
CH$LINK: CAS 15853-35-7
CH$LINK: INCHIKEY BNQRPLGZFADFGA-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 8.706 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 353.1454
MS$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$SPLASH: splash10-0pw9-5900000000-f5d111227e6d502baed1
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  39.0232 11.4 301
  51.0226 2.9 76
  56.9889 3.4 89
  62.0146 2.6 68
  63.0225 9.1 240
  65.038 31.2 824
  79.9801 6.6 174
  80.9876 12.6 333
  89.0367 10.7 282
  91.0529 22.9 605
  102.0452 5.7 150
  107.0032 37.8 999
  113.0367 4.5 118
  115.0528 12.3 325
  126.0456 11.5 303
  131.0043 4.4 116
  133.0193 2.3 60
  139.0534 10.6 280
  150.046 11.3 298
  151.0546 21.7 573
  152.0614 26.8 708
  155.0045 2.4 63
  156.0127 4.5 118
  157.0197 16.6 438
  180.0136 3.1 81
  181.0197 18.6 491
  183.0372 1.9 50
//