ACCESSION: MSBNK-BAFG-CSL23111010190
RECORD_TITLE: Ethyltriphenylphosphonium; 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$NAME: Ethyltriphenylphosphonium
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 7.392 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$SPLASH: splash10-0zir-6900000000-e0ef1992b31c0ea9e822
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39.0229 8.1 79
  50.0149 6.1 59
  51.0226 9.7 94
  55.9804 9.3 90
  56.9885 19.8 193
  61.0068 5.8 56
  62.0147 11.3 110
  63.0223 37.4 365
  65.0381 13.5 132
  67.9808 6 58
  74.0141 13.8 135
  75.0217 5.9 57
  76.0297 12.7 124
  77.0377 10.7 104
  78.972 6.3 61
  79.9799 34.3 335
  80.9875 47.4 463
  87.0208 11.9 116
  89.0367 37.1 363
  91.9791 5.7 55
  98.013 8.3 81
  102.0447 15.9 155
  103.9793 11 107
  104.9873 5.4 52
  107.003 102.1 999
  113.0374 11.1 108
  115.0534 24.1 235
  126.0455 34.6 338
  131.0033 12.8 125
  139.0531 15.5 151
  150.0458 39.5 386
  151.0539 48.1 470
  152.0613 32.8 320
  155.0045 9.6 93
  156.0116 5.9 57
  157.0199 22.2 217
  179.0041 9.7 94
  180.0124 12 117
  181.02 33.9 331
//