ACCESSION: MSBNK-BAFG-CSL23111010197
RECORD_TITLE: Ethyltriphenylphosphonium; 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$NAME: Ethyltriphenylphosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₂₀H₂₀P⁺
CH$EXACT_MASS: 291.1297
CH$SMILES: CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C20H20P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1
CH$LINK: CAS 39895-79-9
CH$LINK: INCHIKEY GELSOTNVVKOYAW-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$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 7.392 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 291.1297
MS$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$SPLASH: splash10-0pe9-9700000000-b0a5565c5bd4d4313a8f
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39.023 9 132
  50.0147 11.3 166
  51.0226 10.2 150
  55.9802 10 147
  56.9885 19.1 281
  61.0065 7.8 114
  62.0144 16.6 244
  63.0222 41.5 610
  65.0375 10.3 151
  67.9801 6.5 95
  74.0138 18 264
  75.0218 6.3 92
  76.0296 9.7 142
  77.0374 9.6 141
  78.9715 8.9 130
  79.9796 40.1 589
  80.9873 46.1 678
  87.021 13.8 203
  89.0365 27.6 406
  91.9788 7.2 105
  98.0128 10.6 155
  102.044 8.4 123
  103.9792 12.3 180
  104.9863 6.5 95
  107.0024 67.9 999
  113.0372 8.2 120
  115.0526 10.6 155
  126.0457 22.4 329
  131.0038 7.7 113
  139.0537 6.2 91
  150.0456 32.1 472
  151.0536 24.5 360
  152.0621 13.1 192
  155.0041 7.7 113
  156.011 5.9 86
  157.0191 8.3 122
  179.0042 8.3 122
  180.0122 6.7 98
  181.0199 17.9 263
//