ACCESSION: MSBNK-BAFG-CSL23111014699
RECORD_TITLE: 2-Propinyl-triphenylphosphonium; LC-ESI-QTOF; MS2; 120 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 120
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$SPLASH: splash10-0zfr-6900000000-dcbecb09ac18affe0e2e
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  39.022 8.4 87
  49.0056 4.9 51
  50.0135 28.5 298
  51.0214 57.9 605
  55.9791 6.3 65
  56.9868 13 135
  61.0053 5.3 55
  62.0131 9.3 97
  63.0208 30.4 318
  65.0363 15 156
  67.9785 14.9 155
  68.9865 13.7 143
  74.0122 10.5 109
  75.0201 7 73
  76.0274 11.9 124
  77.0357 72.7 760
  78.0425 5.2 54
  78.9711 5.8 60
  79.9777 21.2 221
  80.9855 28.5 298
  87.019 7.3 76
  89.0346 35.9 375
  91.9772 8.6 89
  102.0426 18.6 194
  107.001 95.5 999
  113.0345 10.3 107
  115.0508 60 627
  126.0426 21.6 225
  131.0006 10.5 109
  139.051 35.2 368
  144.0095 18.7 195
  150.0436 31.3 327
  151.0515 43.1 450
  152.0596 55.7 582
  156.0087 5.7 59
  157.0165 23.7 247
  162.0431 7.4 77
  163.0515 51.4 537
  164.0594 12.5 130
  165.0675 10.3 107
  176.0597 24.1 252
  180.0094 6.1 63
  181.0178 26.4 276
  187.0513 15 156
  188.0589 7.1 74
  189.0669 24.9 260
  205.0176 19.4 202
  207.0331 6.2 64
//
