ACCESSION: MSBNK-BAFG-CSL23111014938
RECORD_TITLE: Cyclopropyltriphenylphosphonium; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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$SPLASH: splash10-0zgi-6900000000-eb1efc20fea8bba7464e
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39.0274 30 128
  50.0193 13.3 57
  51.0271 16.7 71
  55.985 17.6 75
  56.9928 39 167
  61.0108 12.5 53
  62.0188 29.8 128
  63.0267 69.6 299
  65.0423 41.9 180
  67.9843 12.7 54
  74.0181 24.7 106
  76.0339 19.1 82
  77.0415 25.2 108
  78.9761 26.9 115
  79.984 74.9 321
  80.9917 97.7 419
  86.0168 12.2 52
  87.0245 22.9 98
  89.0405 80.5 346
  91.0564 14 60
  98.0173 11.7 50
  102.0483 33 141
  103.983 15.8 67
  107.0067 232.4 999
  113.0405 19.3 82
  115.0562 80.6 346
  126.0484 65.4 281
  131.0058 23.7 101
  139.0556 40.5 174
  150.0481 75 322
  151.056 102 438
  152.0641 104.3 448
  155.0059 18.2 78
  156.0134 16.5 70
  157.0213 55.4 238
  179.0054 13.6 58
  180.0132 19.6 84
  181.0211 80.3 345
//