ACCESSION: MSBNK-BAFG-CSL23111014702
RECORD_TITLE: 2-Propinyl-triphenylphosphonium; LC-ESI-QTOF; MS2; 90 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 90
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$SPLASH: splash10-0pvi-1900000000-81c6bd18302d8471d533
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  51.0213 24.8 101
  65.0358 17.2 70
  68.9859 18.1 74
  77.0357 114.3 469
  89.0346 17.7 72
  91.0503 14.1 57
  102.0422 24.4 100
  103.0502 30.3 124
  107.0011 219.7 902
  115.0507 148.9 611
  121.0162 32.6 133
  133.0163 17.5 71
  139.0508 60.6 248
  144.0087 52.8 216
  145.0167 47.5 195
  151.0508 27.2 111
  152.0593 243.2 999
  157.0169 98.6 405
  163.0508 33.6 138
  164.0588 49.7 204
  165.0671 171 702
  176.0591 42.6 174
  178.0748 32.8 134
  181.0176 33.8 138
  183.0331 193.2 793
  189.0668 92.4 379
  205.0167 12.6 51
  207.0331 100.7 413
  220.0404 26.7 109
//
