ACCESSION: MSBNK-BAFG-CSL23111014698
RECORD_TITLE: 2-Propinyl-triphenylphosphonium; LC-ESI-QTOF; MS2; 110 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$NAME: 2-Propinyl-triphenylphosphonium
CH$FORMULA: [C21H18P]+
CH$EXACT_MASS: 301.1141
CH$SMILES: C#CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C21H18P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h1,3-17H,18H2/q+1
CH$LINK: CAS 2091-46-5
CH$LINK: INCHIKEY GNEAAXYJEIDVFX-UHFFFAOYSA-N
AC$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 110
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$CHROMATOGRAPHY: RETENTION_TIME 7.928 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 301.1141
MS$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$SPLASH: splash10-0zfr-3900000000-076cec2d0f8ba223cfdd
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39.0218 6.7 49
  50.0136 19.7 146
  51.0214 49.2 366
  56.9866 13.2 98
  63.0207 23.8 177
  65.0362 17.1 127
  67.9786 13 96
  68.9863 14.6 108
  74.0125 6.8 50
  76.0284 10.3 76
  77.0359 93.7 698
  79.9782 16.9 125
  80.9854 27.7 206
  89.0347 38.9 290
  102.0431 20.5 152
  107.0012 134 999
  113.0346 10.5 78
  115.0509 93.2 694
  126.0427 20.5 152
  131.0006 10 74
  133.0168 7.9 58
  139.0514 51.4 383
  144.0091 32.1 239
  150.0434 25.4 189
  151.0513 49.7 370
  152.0596 104.4 778
  157.017 45.1 336
  163.0516 60 447
  164.0596 27.2 202
  165.0671 30.8 229
  176.0596 33.5 249
  181.0175 34.8 259
  183.033 12.9 96
  187.0521 11.3 84
  188.0592 8.1 60
  189.0676 46.8 348
  205.0181 19.4 144
  207.0332 19.5 145
//
