ACCESSION: MSBNK-BAFG-CSL23111014701
RECORD_TITLE: 2-Propinyl-triphenylphosphonium; LC-ESI-QTOF; MS2; 140 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 140
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$SPLASH: splash10-0udi-9500000000-41f7f00f00f154a8875d
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  39.022 12.2 180
  49.0059 9.4 138
  50.0135 42.8 631
  51.0214 67.7 999
  55.9787 7.6 112
  56.9866 12 177
  61.0051 8.1 119
  62.013 16.3 240
  63.0207 38.4 566
  65.0362 10.3 151
  67.9786 18.5 272
  68.9861 12.2 180
  74.0123 17 250
  75.0198 7.4 109
  76.0275 9.8 144
  77.0357 31.4 463
  78.9698 7.5 110
  79.978 28.1 414
  80.9854 30.7 453
  86.0109 8.6 126
  87.0191 10.3 151
  89.0346 24.7 364
  91.9769 11.9 175
  98.0112 8.2 121
  102.0426 10.3 151
  102.9689 3.8 56
  103.9774 8.6 126
  104.9851 3.5 51
  107.0008 39 575
  113.0348 7.4 109
  115.0509 18.9 278
  126.0424 12.1 178
  131.0015 5.5 81
  137.0348 3.8 56
  139.0515 11.6 171
  144.0092 5.1 75
  149.0355 3.5 51
  150.0431 25.2 371
  151.0508 19.4 286
  152.0592 8.8 129
  155.0007 3.5 51
  157.0183 4.9 72
  161.0357 5.3 78
  162.0438 8.1 119
  163.0512 25.8 380
  176.0599 4.6 67
  179.0022 5.2 76
  180.0088 4.7 69
  181.0175 8.8 129
  187.0514 13.5 199
  188.0587 3.4 50
  189.0672 4.4 64
  205.0174 8.3 122
//
