ACCESSION: MSBNK-EPA-ENTACT_AGILENT000858
RECORD_TITLE: 2-Mercaptoethanol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03di-9000000000-1196ad53a0e94b0f5e30
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  45.987172 3.636638 36
  46.994997 31.221164 311
  48.974262 4.612271 46
  61.010647 8.472991 84
  62.018472 5.464124 54
  62.989912 4.206574 42
  63.997737 100.000004 999
  79.021212 12.802558 127
//