ACCESSION: MSBNK-BAFG-CSL23111015544
RECORD_TITLE: (1-Ethoxyvinyl)triphenylphosphonium; 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$NAME: (1-Ethoxyvinyl)triphenylphosphonium
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 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$SPLASH: splash10-0zgi-4900000000-1f12441562192a68b51e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  39.0233 4.4 112
  43.0181 2 51
  50.0151 4.5 114
  51.0229 4.9 125
  55.9804 3.3 84
  56.9884 6.7 171
  62.0145 3.8 97
  63.0228 13.7 350
  65.0378 4.9 125
  74.0144 5.4 137
  75.022 2.2 56
  76.0296 4.4 112
  77.0374 2.9 74
  78.0457 2.4 61
  78.9721 3.4 86
  79.9797 10.3 263
  80.9877 13.7 350
  86.0139 2.7 68
  87.021 3.8 97
  89.0369 14.7 375
  98.013 2.7 68
  102.045 6.8 173
  103.9793 3.8 97
  104.9878 2 51
  107.0029 39.1 999
  113.0367 6.1 155
  115.0531 13.4 342
  125.0386 2 51
  126.0452 15.7 401
  131.0045 6.2 158
  133.0192 2.4 61
  139.0529 10.3 263
  150.0463 14.9 380
  151.0539 22.9 585
  152.0612 22.4 572
  155.0035 5 127
  156.0113 4.6 117
  157.0199 14.6 373
  179.0034 3.1 79
  180.012 5.6 143
  181.0197 18.3 467
  183.0344 2 51
//