MassBank Record: MSBNK-EPA-ENTACT_AGILENT000649

4-Ethenylbenzenesulfonic acid; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000649
RECORD_TITLE: 4-Ethenylbenzenesulfonic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 4-Ethenylbenzenesulfonic acid
CH$NAME: DTXSID7044635
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃S
CH$EXACT_MASS: 184.0194148521
CH$SMILES: C=CC1=CC=C(C=C1)S(O)(=O)=O
CH$IUPAC: InChI=1S/C8H8O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H,9,10,11)
CH$LINK: CAS 98-70-4
CH$LINK: INCHIKEY MAGFQRLKWCCTQJ-UHFFFAOYSA-N

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 183.0121384004
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-017i-3900000000-e80087034bf2c3fe619c
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  79.957363 71.895454 718
  79.990378 1.043324 10
  80.965188 4.134383 41
  93.034588 1.124206 11
  117.034588 1.07422 10
  119.050238 100 999
  183.012138 78.873058 787
//