MassBank Record: PR010009



 5-Methylcytosine; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010009
RECORD_TITLE: 5-Methylcytosine; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 58366-64-6 CH$LINK: NIKKAJI J237.153G
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$CHROMATOGRAPHY: RETENTION_INDEX 1545.2 AC$CHROMATOGRAPHY: RETENTION_TIME 383.15 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C11H23N3OSi2 MS$FOCUSED_ION: DERIVATIVE_MASS 269.13797 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fk9-8970000000-8e71ebdb5a55e2426344 PK$NUM_PEAK: 168 PK$PEAK: m/z int. rel.int. 60 31 31 61 25 25 62 3 3 63 2 2 64 2 2 65 1 1 66 14 14 67 8 8 68 1 1 69 17 17 70 69 69 71 33 33 72 98 98 73 999 999 74 176 176 75 73 73 76 10 10 77 25 25 78 9 9 79 51 51 80 10 10 81 11 11 82 23 23 83 23 23 84 107 107 85 55 55 86 82 82 87 15 15 88 9 9 89 2 2 90 2 2 91 1 1 92 1 1 93 2 2 94 2 2 95 8 8 96 24 24 97 19 19 98 45 45 99 30 30 100 190 190 101 25 25 102 15 15 103 6 6 104 2 2 105 7 7 106 5 5 107 3 3 108 4 4 109 14 14 110 26 26 111 29 29 112 327 327 113 51 51 114 25 25 115 12 12 116 19 19 117 13 13 118 4 4 119 8 8 120 59 59 121 5 5 122 1 1 123 8 8 124 6 6 125 7 7 126 25 25 127 14 14 128 15 15 129 4 4 130 64 64 131 42 42 132 23 23 133 37 37 134 7 7 135 3 3 136 1 1 137 14 14 138 17 17 139 136 136 140 20 20 141 15 15 142 6 6 143 5 5 144 4 4 145 1 1 146 91 91 147 295 295 148 52 52 149 22 22 150 5 5 151 3 3 152 4 4 153 15 15 154 9 9 155 4 4 156 3 3 157 18 18 158 11 11 159 3 3 160 1 1 164 34 34 165 5 5 166 7 7 167 3 3 168 3 3 169 5 5 170 5 5 171 4 4 172 7 7 173 2 2 174 1 1 178 2 2 179 1 1 180 6 6 181 8 8 182 37 37 183 7 7 184 166 166 185 35 35 186 14 14 187 2 2 194 2 2 195 2 2 196 35 35 197 12 12 198 6 6 199 2 2 200 1 1 208 1 1 209 1 1 210 1 1 211 27 27 212 7 7 213 3 3 222 1 1 224 7 7 225 7 7 226 3 3 227 17 17 228 4 4 229 1 1 237 1 1 238 114 114 239 33 33 240 12 12 241 2 2 246 1 1 247 1 1 250 1 1 252 4 4 253 6 6 254 912 912 255 216 216 256 89 89 257 14 14 258 2 2 260 1 1 261 1 1 262 1 1 263 1 1 264 1 1 265 1 1 268 21 21 269 202 202 270 49 49 271 19 19 272 3 3 //