MassBank Record: KO000090



 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000090
RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A045

CH$NAME: 3-Amino-1,2,4-triazole CH$NAME: 2-Amino-1,3,4-triazole CH$NAME: Aminotriazole CH$NAME: Amitrole CH$COMPOUND_CLASS: N/A CH$FORMULA: C2H4N4 CH$EXACT_MASS: 84.04360 CH$SMILES: Nc(n1)nnc1 CH$IUPAC: InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) CH$LINK: CAS 61-82-5 CH$LINK: CHEBI 1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K CH$LINK: PUBCHEM SID:13438
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 83 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9000000000-73a22df7eb76b93870b6 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 41.300 955446.5 32 55.000 64356.5 2 65.800 158416.0 5 66.700 54455.5 2 83.200 29633693.0 999 //