ACCESSION: MSBNK-BAFG-CSL23111015539
RECORD_TITLE: (1-Ethoxyvinyl)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$NAME: (1-Ethoxyvinyl)triphenylphosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₂₂H₂₂OP⁺
CH$EXACT_MASS: 333.1403
CH$SMILES: CCOC(=C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C22H22OP/c1-3-23-19(2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3H2,1H3/q+1
CH$LINK: CAS 55552-25-5
CH$LINK: INCHIKEY JIZMJWKMHIWDGU-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 9.296 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 333.1403
MS$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$SPLASH: splash10-0zir-7900000000-f4715257607e8e8c61ce
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  39.0233 4.3 149
  50.0148 5.9 204
  51.023 5.5 190
  55.9811 4.5 156
  56.9885 7 242
  62.0148 6.3 218
  63.0223 14 485
  65.0382 4.9 169
  74.0138 6.3 218
  75.0221 2.5 86
  76.0299 5.2 180
  77.0375 3.6 124
  78.0457 2.2 76
  78.972 3.7 128
  79.9799 13.9 482
  80.9875 16.7 579
  86.0131 3 104
  87.0211 4.9 169
  89.037 11.9 412
  98.0136 3 104
  102.0445 6.1 211
  103.9793 3.9 135
  104.9875 2.2 76
  107.0028 28.8 999
  113.0364 5.8 201
  115.0526 8.6 298
  125.0378 2 69
  126.0453 12.3 426
  131.0039 5.6 194
  133.0196 1.5 52
  139.0532 5.7 197
  150.0454 14.6 506
  151.0539 15.4 534
  152.0613 11.1 385
  155.0037 4.4 152
  156.0121 4 138
  157.0192 6.3 218
  179.0045 4.3 149
  180.011 5.8 201
  181.0199 13.4 464
//