ACCESSION: MSBNK-BAFG-CSL23111014949
RECORD_TITLE: Cyclopropyltriphenylphosphonium; 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$NAME: Cyclopropyltriphenylphosphonium
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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 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$SPLASH: splash10-0npr-9500000000-7488239662582de0aaab
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  39.0276 39.8 390
  50.0191 22.1 217
  51.027 23.6 231
  55.985 19.4 190
  56.9927 34.1 334
  61.0109 23 225
  62.0186 44.1 433
  63.0266 80.9 794
  65.0421 28.4 278
  67.9845 16.6 163
  74.0182 39 383
  75.0259 14.4 141
  76.034 19.7 193
  77.0416 18.5 181
  78.0493 5.5 54
  78.976 34.7 340
  79.9839 89 874
  80.9915 88.3 867
  86.017 21.8 214
  87.0247 22.1 217
  89.0402 49.2 483
  91.9826 16.4 161
  98.017 22.4 220
  102.0481 18.3 179
  102.9746 9.2 90
  103.9822 24.1 236
  104.9901 9.2 90
  107.0063 101.7 999
  113.04 13.5 132
  115.0559 25.3 248
  126.048 31.9 313
  131.0058 9.5 93
  139.0553 13.3 130
  150.0479 57.5 564
  151.0557 35 343
  152.0636 17.9 175
  155.0059 16 157
  156.0134 6.3 61
  157.0207 8 78
  179.0048 17.4 170
  180.0133 17.1 167
  181.0208 24.6 241
//