MassBank Record: KO003364



 5-Methylcytosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003364
RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M029

CH$NAME: 5-Methylcytosine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H7N3O CH$EXACT_MASS: 125.05891 CH$SMILES: CC(=C1)C(N)=NC(=O)N1 CH$IUPAC: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) CH$LINK: CAS 554-01-8 CH$LINK: KEGG C02376 CH$LINK: NIKKAJI J9.416A CH$LINK: PUBCHEM SID:5418 CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 126 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a59-6900000000-2ba4efb5ece00114fe13 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 53.800 113861.5 39 55.000 39604.0 13 55.900 331683.5 113 66.200 24752.5 8 69.300 29703.0 10 71.000 89109.0 30 76.700 39604.0 13 78.900 29703.0 10 81.100 1212872.5 412 82.000 514852.0 175 83.100 1445546.0 491 94.000 54455.5 19 108.200 995050.5 338 109.200 2940597.0 999 126.200 1163367.5 395 //