ACCESSION: MSBNK-BAFG-CSL23111014951
RECORD_TITLE: Cyclopropyltriphenylphosphonium; LC-ESI-QTOF; MS2; 120 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$NAME: Cyclopropyltriphenylphosphonium
CH$COMPOUND_CLASS:
CH$FORMULA: C₂₁H₂₀P⁺
CH$EXACT_MASS: 303.1297
CH$SMILES: C1CC1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
CH$IUPAC: InChI=1S/C21H20P/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1
CH$LINK: CAS 14114-05-7
CH$LINK: INCHIKEY UMOWYCSSGJQQHE-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 6600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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 7.786 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 303.1297
MS$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$SPLASH: splash10-0pb9-3900000000-4783d21fa82f2b538721
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  55.9848 18.9 57
  56.9929 37.3 112
  62.0191 19.6 59
  63.0268 61.8 186
  65.0425 55 166
  76.0339 19.1 57
  77.0415 35.2 106
  78.9758 19.5 58
  79.9839 67.5 203
  80.9917 101.5 306
  89.0407 98.3 297
  91.0564 24.4 73
  102.0485 34 102
  107.0069 330.6 999
  113.0403 24.7 74
  115.0563 149.3 451
  126.0483 64.9 196
  131.0063 27.5 83
  133.0221 23.5 71
  139.0562 76.6 231
  150.0484 66.2 200
  151.0564 132.8 401
  152.064 210.7 636
  155.0065 16.6 50
  156.014 24 72
  157.0222 116.3 351
  180.0135 18.1 54
  181.0216 107.6 325
  183.0371 24.8 74
//