MassBank Record: KO002129



 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: KO002129
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$NAME: Amitrole CH$NAME: Aminotriazole CH$COMPOUND_CLASS: N/A CH$FORMULA: C2H4N4 CH$EXACT_MASS: 84.04360 CH$SMILES: C1=NNC(=N1)N 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 85 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9000000000-debdc097b9eaf9063fbc PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 43.000 316832.0 9 56.100 24752.5 1 57.400 1074258.5 29 58.100 500000.5 14 85.100 36747561.5 999 //