MassBank Record: KO000092



 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000092
RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:40 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: 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 83 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-6f2f949d6afb30ba3bd3 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 40.000 128713.0 88 41.100 1465348.0 999 66.300 683169.0 466 66.700 14851.5 10 82.900 232673.5 159 //