ACCESSION: MSBNK-BAFG-CSL23111014946
RECORD_TITLE: Cyclopropyltriphenylphosphonium; 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$NAME: Cyclopropyltriphenylphosphonium
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 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$SPLASH: splash10-0zir-9800000000-b6484506a717de9bce0e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  39.0275 36.3 227
  50.019 19.2 120
  51.0269 20.7 129
  55.9848 22 138
  56.9926 40.7 255
  61.0113 21 131
  62.0188 36 225
  63.0266 76 476
  65.0423 36.6 229
  67.9846 15.3 96
  74.0183 30.3 190
  75.0257 10.4 65
  76.0336 24.7 154
  77.0416 25.1 157
  78.0496 8.3 52
  78.976 33.1 207
  79.9839 82.8 519
  80.9915 96.1 603
  86.0169 18.1 113
  87.0249 23.8 149
  89.0404 64.3 403
  91.9825 13.3 83
  98.0168 16.7 104
  102.0485 27.4 171
  102.9748 9.6 60
  103.9825 22.3 139
  104.9906 11.7 73
  107.0066 159.2 999
  113.0404 18.1 113
  115.056 47.2 296
  126.0483 48.2 302
  131.0058 19.1 119
  139.0557 25.3 158
  150.048 68.7 431
  151.056 65.2 409
  152.0634 50.7 318
  155.0058 19.7 123
  156.0134 13.4 84
  157.0214 25 156
  179.0057 15.9 99
  180.0134 20.9 131
  181.0214 46.4 291
//