MassBank Record: KO001890



 Thymine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001890
RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:50 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 T015

CH$NAME: Thymine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H6N2O2 CH$EXACT_MASS: 126.04293 CH$SMILES: CC(=C1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) CH$LINK: CAS 65-71-4 CH$LINK: CHEBI 17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D CH$LINK: PUBCHEM SID:3478
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 125 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4l-9000000000-599b8dcd618a9b96df4b PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 30.900 29703.0 150 35.300 108911.0 549 42.200 158416.0 799 43.500 54455.5 275 45.400 29703.0 150 56.700 34653.5 175 59.300 198020.0 999 //