MassBank Record: KZ000105



 5-Methylcytosine; GC-EI-TOF; MS; 2 TMS; BP:254 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000105
RECORD_TITLE: 5-Methylcytosine; GC-EI-TOF; MS; 2 TMS; BP:254
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05398_P000027

CH$NAME: 5-Methylcytosine CH$COMPOUND_CLASS: Natural Product 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$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 805.413 sec
MS$FOCUSED_ION: BASE_PEAK 254 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-1890000000-547f8dd8c93c7e653e8c PK$NUM_PEAK: 149 PK$PEAK: m/z int. rel.int. 82 15 15 83 14 14 84 71 71 85 35 35 86 60 60 87 8 8 88 5 5 89 1 1 90 1 1 93 1 1 94 1 1 95 6 6 96 17 17 97 12 12 98 26 26 99 21 21 100 145 145 101 16 16 102 9 9 103 4 4 104 1 1 105 4 4 106 3 3 107 2 2 108 4 4 109 11 11 110 20 20 111 24 24 112 239 239 113 37 37 114 17 17 115 11 11 116 16 16 117 11 11 118 3 3 119 6 6 120 29 29 121 3 3 122 1 1 123 9 9 124 6 6 125 6 6 126 21 21 127 12 12 128 12 12 129 3 3 130 51 51 131 36 36 132 18 18 133 28 28 134 7 7 135 3 3 136 1 1 137 15 15 138 20 20 139 120 120 140 17 17 141 13 13 142 7 7 143 6 6 144 4 4 145 1 1 146 90 90 147 292 292 148 48 48 149 20 20 150 5 5 151 3 3 152 5 5 153 20 20 154 7 7 155 4 4 156 3 3 157 19 19 158 12 12 159 2 2 164 35 35 165 5 5 166 10 10 167 3 3 168 3 3 169 5 5 170 5 5 171 4 4 172 6 6 173 1 1 178 2 2 179 1 1 180 7 7 181 13 13 182 41 41 183 8 8 184 186 186 185 37 37 186 14 14 187 2 2 194 2 2 195 2 2 196 35 35 197 9 9 198 6 6 199 2 2 200 1 1 208 1 1 209 1 1 210 1 1 211 26 26 212 7 7 213 3 3 214 1 1 222 1 1 223 1 1 224 7 7 225 7 7 226 3 3 227 18 18 228 4 4 229 1 1 237 2 2 238 134 134 239 49 49 240 13 13 241 2 2 245 1 1 246 1 1 247 1 1 248 1 1 249 1 1 250 1 1 252 5 5 253 16 16 254 999 999 255 233 233 256 96 96 257 15 15 258 3 3 259 1 1 260 1 1 261 2 2 262 2 2 263 1 1 264 1 1 265 1 1 267 1 1 268 31 31 269 258 258 270 62 62 271 24 24 272 3 3 //

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