MassBank Record: MSBNK-EPA-ENTACT_AGILENT001586

5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001586
RECORD_TITLE: 5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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

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

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PK$SPLASH: splash10-0a4i-9000000000-cd8acf635b2a3a2ae95b
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  41.014522 4.034597 40
  57.975693 99.999997 999
  66.009771 3.151567 31
//