MassBank Record: KO003365



 5-Methylcytosine; 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: KO003365
RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 126 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a59-9300000000-1a71fa46d7b0fd6269f3 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 19.400 39604.0 71 54.000 321782.5 580 56.100 455446.0 821 69.000 39604.0 71 71.000 118812.0 214 76.900 29703.0 54 81.000 554456.0 999 83.200 311881.5 562 108.200 128713.0 232 109.400 500000.5 901 //