ACCESSION: MSBNK-EPA-ENTACT_AGILENT000390
RECORD_TITLE: 2-Propene-1-sulfonic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Propene-1-sulfonic acid
CH$NAME: DTXSID3041451
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O₃S
CH$EXACT_MASS: 122.0037647883
CH$SMILES: C=CCS(O)(=O)=O
CH$IUPAC: InChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2H,1,3H2,(H,4,5,6)
CH$LINK: CAS 1606-80-0
CH$LINK: INCHIKEY UIIIBRHUICCMAI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:23690996

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$FOCUSED_ION: PRECURSOR_M/Z 120.9964883366
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-80ce5d28d2811c089dfc
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  63.962449 4.111599 41
  79.957363 100 999
  79.993749 2.299108 22
//