ACCESSION: MSBNK-EPA-ENTACT_AGILENT000856
RECORD_TITLE: 2-Mercaptoethanol; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Mercaptoethanol
CH$NAME: DTXSID4026343
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₆OS
CH$EXACT_MASS: 78.0139355437
CH$SMILES: OCCS
CH$IUPAC: InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
CH$LINK: CAS 60-24-2
CH$LINK: INCHIKEY DGVVWUTYPXICAM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1567

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 79.0212119954
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-01t9-9000000000-73bed4b96f75ee911640
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  46.994997 3.063111 30
  61.010647 12.952997 129
  62.018472 3.747832 37
  62.989912 1.843649 18
  63.997737 42.712335 426
  79.021212 100.000002 999
//