ACCESSION: MSBNK-BAFG-CSL23111010196
RECORD_TITLE: Ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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$SPLASH: splash10-0zgi-3900000000-46d12073de40fa147eb1
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  51.023 7.3 55
  56.9883 16.4 124
  63.0222 30.8 233
  65.0378 14.4 109
  74.0139 8.3 62
  76.0294 9.9 75
  77.0373 10 75
  79.9799 26.2 198
  80.9876 42 318
  87.0212 11.4 86
  89.0369 42.2 320
  102.0445 16.2 122
  107.003 131.7 999
  113.0369 12.9 97
  115.0531 41 311
  126.0454 38.9 295
  131.0033 15 113
  133.0202 6.6 50
  139.0537 26.3 199
  150.0459 35.2 267
  151.0539 70.9 537
  152.0616 67.9 515
  155.0042 9 68
  156.0116 14 106
  157.0195 36.6 277
  179.0039 7.6 57
  180.0122 12.2 92
  181.0203 48.1 364
//