ACCESSION: MSBNK-BAFG-CSL23111015541
RECORD_TITLE: (1-Ethoxyvinyl)triphenylphosphonium; 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$NAME: (1-Ethoxyvinyl)triphenylphosphonium
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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 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$SPLASH: splash10-0zfr-3900000000-ad35bc8dd10cd5fd99bb
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  39.0233 3.2 63
  43.0179 2.8 55
  50.0151 3.4 67
  51.0227 3.4 67
  55.981 4 78
  56.9883 7.2 142
  62.0145 3.4 67
  63.0226 12.1 238
  65.0382 6.9 136
  74.0145 3.6 71
  76.0296 4.1 80
  77.0378 3.4 67
  78.0453 2.7 53
  79.9797 10.7 211
  80.9874 15.4 304
  87.0213 4.2 82
  89.0366 18 355
  102.0448 7.7 152
  103.9796 3.6 71
  107.0029 49.9 985
  113.0364 6.5 128
  115.0528 25.2 497
  126.0449 15.8 311
  131.0036 7.6 150
  133.0186 5.1 100
  139.0532 20.6 406
  150.0458 16.3 321
  151.0539 34.4 679
  152.0615 50.6 999
  155.0036 5.5 108
  156.0121 6.4 126
  157.0193 27.6 544
  180.0118 4.9 96
  181.0201 26.1 515
  183.0365 5.8 114
//