MassBank Record: KZ000010



 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: KZ000010
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_01422_P000132

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 1731.5 AC$CHROMATOGRAPHY: RETENTION_TIME 809.613 sec
MS$FOCUSED_ION: BASE_PEAK 254 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-2970000000-9bae58e66a60384a4b47 PK$NUM_PEAK: 152 PK$PEAK: m/z int. rel.int. 82 28 28 83 27 27 84 128 128 85 63 63 86 96 96 87 17 17 88 10 10 89 3 3 90 1 1 91 1 1 92 2 2 93 3 3 94 3 3 95 10 10 96 28 28 97 20 20 98 40 40 99 33 33 100 220 220 101 28 28 102 16 16 103 7 7 104 2 2 105 6 6 106 5 5 107 4 4 108 7 7 109 17 17 110 30 30 111 33 33 112 319 319 113 50 50 114 24 24 115 12 12 116 18 18 117 12 12 118 3 3 119 10 10 120 38 38 121 4 4 122 2 2 123 10 10 124 7 7 125 7 7 126 25 25 127 14 14 128 14 14 129 4 4 130 60 60 131 40 40 132 22 22 133 32 32 134 7 7 135 3 3 136 1 1 137 18 18 138 24 24 139 132 132 140 20 20 141 14 14 142 7 7 143 5 5 144 3 3 145 1 1 146 80 80 147 254 254 148 45 45 149 19 19 150 5 5 151 3 3 152 5 5 153 18 18 154 8 8 155 4 4 156 2 2 157 16 16 158 11 11 159 3 3 160 1 1 164 35 35 165 5 5 166 9 9 167 3 3 168 3 3 169 5 5 170 5 5 171 5 5 172 6 6 173 2 2 178 1 1 179 1 1 180 6 6 181 11 11 182 35 35 183 7 7 184 147 147 185 32 32 186 12 12 187 2 2 194 2 2 195 2 2 196 28 28 197 9 9 198 5 5 199 2 2 208 1 1 209 1 1 210 1 1 211 22 22 212 6 6 213 3 3 214 1 1 222 1 1 223 1 1 224 6 6 225 6 6 226 2 2 227 16 16 228 3 3 229 1 1 237 4 4 238 105 105 239 34 34 240 12 12 241 2 2 244 1 1 245 1 1 246 1 1 247 1 1 248 1 1 249 1 1 250 1 1 252 5 5 253 20 20 254 999 999 255 234 234 256 88 88 257 13 13 258 2 2 259 1 1 260 1 1 261 1 1 262 1 1 263 1 1 264 1 1 265 1 1 267 1 1 268 25 25 269 166 166 270 41 41 271 15 15 272 2 2 //

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