ACCESSION: MSBNK-EPA-ENTACT_AGILENT000650
RECORD_TITLE: 4-Ethenylbenzenesulfonic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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

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 40

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

PK$SPLASH: splash10-004i-9000000000-fc26e1c12bc784c0cda8
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  65.039674 1.045182 10
  79.957363 100.000003 999
  79.990378 1.80656 18
  80.965188 1.538908 15
  93.034588 9.400485 93
  119.050238 12.641206 126
//