MassBank Record: KO001889



 Thymine; 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: KO001889
RECORD_TITLE: Thymine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 125 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-0ee2bab9c37212ccf44e PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 31.600 123762.5 136 42.300 267327.0 293 45.000 143564.5 157 45.800 103960.5 114 57.200 29703.0 33 59.200 910892.0 999 60.300 84158.5 92 61.000 188119.0 206 74.600 49505.0 54 89.100 9901.0 11 92.600 54455.5 60 //