MassBank Record: KO003096



 Imidazole-4-methanol; 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: KO003096
RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H025

CH$NAME: 4-Hydroxymethylimidazole CH$NAME: Imidazole-4-methanol CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6N2O CH$EXACT_MASS: 98.04801 CH$SMILES: C1=C(NC=N1)CO CH$IUPAC: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) CH$LINK: CAS 822-55-9 CH$LINK: KEGG C05562 CH$LINK: NIKKAJI J100.709B CH$LINK: PUBCHEM SID:7892
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 99 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-c34f65ecc49593957e2e PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 28.200 59406.0 5 52.100 158416.0 13 53.400 39604.0 3 54.000 5262381.5 436 55.000 24752.5 2 67.700 79208.0 7 69.200 232673.5 19 81.000 12049517.0 999 //