ACCESSION: MSBNK-BAFG-CSL23111011552
RECORD_TITLE: Benzyltriphenylphosphonium; LC-ESI-QTOF; MS2; 140 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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 8.706 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$SPLASH: splash10-1000-4900000000-e98636d7767186477c4b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  39.0233 11.2 232
  51.0229 3.2 66
  56.9892 2.7 56
  62.0143 2.9 60
  63.0226 9.4 195
  65.0382 39.8 826
  79.9798 5 103
  80.9875 11.8 245
  89.0365 12.4 257
  91.0527 32.6 677
  102.0441 6.2 128
  107.0029 46.9 974
  113.0364 5.1 105
  115.0523 19.2 398
  126.0443 13.9 288
  131.0034 5 103
  133.0185 3.8 78
  139.0532 17.4 361
  150.0448 10.1 209
  151.0534 27.4 569
  152.0609 48.1 999
  155.0012 3.5 72
  156.0109 5.6 116
  157.0192 23.3 483
  180.0129 3.5 72
  181.0197 20.1 417
  183.0348 4.6 95
//