ACCESSION: MSBNK-BAFG-CSL23111014692
RECORD_TITLE: 2-Propinyl-triphenylphosphonium; 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$NAME: 2-Propinyl-triphenylphosphonium
CH$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 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$CHROMATOGRAPHY: RETENTION_TIME 7.928 min
AC$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$SPLASH: splash10-0udi-9300000000-54da3914dae845491e8a
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  37.0066 3.8 62
  39.0219 11.2 183
  49.0056 8.7 142
  50.0136 50.4 824
  51.0215 61.1 999
  55.979 7.9 129
  56.9868 10.7 174
  61.0051 9.1 148
  62.0126 19.2 313
  63.0207 37.2 608
  65.036 7.6 124
  67.9786 17.8 291
  68.9865 9.5 155
  74.0122 19.5 318
  75.0201 6.7 109
  76.0275 9.1 148
  77.0357 17.5 286
  78.9702 7.8 127
  79.9779 30.2 493
  80.9858 25.4 415
  86.0109 9.6 156
  87.0188 12.2 199
  89.0346 19.4 317
  91.9767 13.1 214
  98.0114 9.4 153
  102.0425 7.3 119
  102.9686 4 65
  103.9767 9.6 156
  104.9853 3.4 55
  107.0011 23.3 380
  113.0351 4.8 78
  115.0506 8.7 142
  126.043 7.6 124
  131.0012 3.2 52
  137.0347 3.1 50
  139.0505 5 81
  150.0434 20.3 331
  151.051 8.3 135
  152.0591 3.9 63
  161.0362 4.6 75
  162.0429 6.4 104
  163.0517 14.4 235
  174.044 3.6 58
  179.0021 5.2 85
  180.0091 3.4 55
  181.0174 3.5 57
  187.0514 8.3 135
  205.0168 4.7 76
//
