MassBank Record: KO001976



 Uracil; 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: KO001976
RECORD_TITLE: Uracil; 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 U004

CH$NAME: Uracil CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H4N2O2 CH$EXACT_MASS: 112.02728 CH$SMILES: O=C(C=1)NC(=O)NC1 CH$IUPAC: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) CH$LINK: CAS 66-22-8 CH$LINK: CHEBI 17568 CH$LINK: CHEMPDB URA CH$LINK: KEGG C00106 CH$LINK: NIKKAJI J4.842I CH$LINK: PUBCHEM SID:3406
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 111 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-7494d4e611a73ecb79ea PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 42.000 559406.5 999 48.900 34653.5 62 //