ACCESSION: MSBNK-EPA-ENTACT_AGILENT001587
RECORD_TITLE: 5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione
CH$NAME: DTXSID7044849
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₄N₄S
CH$EXACT_MASS: 116.0156668872
CH$SMILES: NC1NNC(=S)N=1
CH$IUPAC: InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
CH$LINK: CAS 16691-43-3
CH$LINK: INCHIKEY WZUUZPAYWFIBDF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2723869

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 115.0083904355
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-066r-7900000000-9a95f83175fe0196d3f4
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  41.014522 1.08593 10
  57.975693 52.580112 525
  72.986592 20.411028 203
  83.03632 7.6495 76
  115.00839 100.000001 999
//