MassBank Record: KO003184



 Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003184
RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 127 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-029fc71514700cdb7209 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 43.100 113861.5 1 54.100 1118813.0 14 55.200 84158.5 1 67.000 118812.0 2 69.100 89109.0 1 70.800 94059.5 1 76.900 39604.0 1 78.800 153465.5 2 79.400 44554.5 1 81.100 78970376.0 999 82.300 618812.5 8 83.100 59406.0 1 95.300 49505.0 1 109.100 79208.0 1 111.900 14851.5 1 127.100 138614.0 2 //