ACCESSION: MSBNK-EPA-ENTACT_AGILENT000857
RECORD_TITLE: 2-Mercaptoethanol; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0002-9000000000-b029ec84553a0609692c
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  44.979347 29.230248 292
  45.987172 10.610077 105
  46.994997 100.000002 999
  47.966437 3.207089 32
  48.974262 66.521038 664
  49.010647 1.406372 14
  61.010647 1.455849 14
  62.989912 12.105046 120
  63.997737 21.938399 219
//