MassBank Record: KO003182



 Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003182
RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:10 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 I014

CH$NAME: Imidazole-4-acetate CH$NAME: 4-Imidazoleacetate CH$NAME: Imidazoleacetic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H6N2O2 CH$EXACT_MASS: 126.04293 CH$SMILES: C1=C(NC=N1)CC(=O)O CH$IUPAC: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) CH$LINK: CAS 645-65-8 CH$LINK: CHEBI 16974 CH$LINK: KEGG C02835 CH$LINK: PUBCHEM SID:5778
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 127 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0900000000-3e8a5824e3117a9ff630 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 57.300 89109.0 1 71.000 430693.5 3 81.000 15009916.0 103 83.300 74257.5 1 84.900 336634.0 2 99.000 811882.0 6 109.200 5831689.0 40 110.100 1024753.5 7 127.000 145440739.5 999 //