MassBank Record: KO001886



 Thymine; 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: KO001886
RECORD_TITLE: Thymine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 125 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9100000000-1e96fdb2525aace8b29d PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 35.000 113861.5 3 45.200 504951.0 14 45.900 272277.5 8 53.200 6668323.5 187 59.200 12950508.0 362 60.200 752476.0 21 61.200 3232676.5 90 63.400 282178.5 8 64.600 14851.5 1 70.900 905941.5 25 75.000 35717857.5 999 77.200 118812.0 3 78.600 193069.5 5 80.000 1965348.5 55 80.800 183168.5 5 86.700 24752.5 1 89.000 6980205.0 195 92.400 599010.5 17 93.200 1247526.0 35 95.200 54455.5 2 107.200 2579210.5 72 125.100 6717828.5 188 //