ACCESSION: MSBNK-EPA-ENTACT_AGILENT001711
RECORD_TITLE: Ethylenesulfonic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ethylenesulfonic acid
CH$NAME: DTXSID0027513
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₄O₃S
CH$EXACT_MASS: 107.9881147245
CH$SMILES: C=CS(O)(=O)=O
CH$IUPAC: InChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)
CH$LINK: CAS 1184-84-5
CH$LINK: INCHIKEY NLVXSWCKKBEXTG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3270262

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$FOCUSED_ION: PRECURSOR_M/Z 106.9808382728
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-863d2de46a02a5d875d6
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  41.003288 1.253819 12
  63.962449 2.672227 26
  79.957363 99.999999 999
  80.965188 4.131673 41
//