MassBank Record: KZ000003



 2'-Deoxyadenosine; GC-EI-TOF; MS; 3 TMS; BP:207 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000003
RECORD_TITLE: 2'-Deoxyadenosine; GC-EI-TOF; MS; 3 TMS; BP:207
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_01389_P000025

CH$NAME: 2'-Deoxyadenosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13N5O3 CH$EXACT_MASS: 251.10184 CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 CH$IUPAC: InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 CH$LINK: CAS 958-09-8 CH$LINK: KEGG C00559 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624
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 2858.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1208.06 sec
MS$FOCUSED_ION: BASE_PEAK 207 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0pbc-1950000000-892b755b10f34bcfa1c7 PK$NUM_PEAK: 229 PK$PEAK: m/z int. rel.int. 82 48 48 83 35 35 84 171 171 85 112 112 86 35 35 87 32 32 88 16 16 89 41 41 90 6 6 91 5 5 92 13 13 93 13 13 94 10 10 95 25 25 96 34 34 97 24 24 98 20 20 99 100 100 100 35 35 101 148 148 102 22 22 103 804 804 104 80 80 105 42 42 106 8 8 107 12 12 108 29 29 109 37 37 110 34 34 111 117 117 112 20 20 113 49 49 114 9 9 115 28 28 116 25 25 117 153 153 118 21 21 119 33 33 120 10 10 121 9 9 122 11 11 123 21 21 124 12 12 125 27 27 126 8 8 127 34 34 128 8 8 129 82 82 130 16 16 131 40 40 132 11 11 133 94 94 134 19 19 135 42 42 136 20 20 137 28 28 138 32 32 139 7 7 140 4 4 141 9 9 142 35 35 143 40 40 144 8 8 145 67 67 146 12 12 147 145 145 148 28 28 149 29 29 150 18 18 151 19 19 152 9 9 153 5 5 154 3 3 155 124 124 156 22 22 157 27 27 158 7 7 159 6 6 160 3 3 161 10 10 162 33 33 163 12 12 164 77 77 165 178 178 166 43 43 167 13 13 168 4 4 169 87 87 170 90 90 171 45 45 172 10 10 173 6 6 174 8 8 175 10 10 176 35 35 177 18 18 178 13 13 179 10 10 180 88 88 181 25 25 182 8 8 183 2 2 184 2 2 185 2 2 186 1 1 187 2 2 188 6 6 189 42 42 190 29 29 191 46 46 192 998 998 193 163 163 194 49 49 195 8 8 196 4 4 197 3 3 198 4 4 199 3 3 200 4 4 201 4 4 202 9 9 203 7 7 204 11 11 205 14 14 206 110 110 207 999 999 208 633 633 209 127 127 210 29 29 211 5 5 212 1 1 213 1 1 214 1 1 215 7 7 216 3 3 217 70 70 218 131 131 219 45 45 220 19 19 221 11 11 222 6 6 223 3 3 224 2 2 225 1 1 226 1 1 228 1 1 229 1 1 230 2 2 231 5 5 232 9 9 233 13 13 234 54 54 235 19 19 236 337 337 237 112 112 238 27 27 239 6 6 240 1 1 242 1 1 243 2 2 244 2 2 245 8 8 246 8 8 247 3 3 248 2 2 249 4 4 250 3 3 251 1 1 259 3 3 260 4 4 261 2 2 262 5 5 263 2 2 264 21 21 265 6 6 266 6 6 267 1 1 272 1 1 274 2 2 275 1 1 276 1 1 278 3 3 279 10 10 280 16 16 281 4 4 282 3 3 287 2 2 288 2 2 290 1 1 291 1 1 292 1 1 294 1 1 296 1 1 304 1 1 305 1 1 306 4 4 307 2 2 308 2 2 309 1 1 321 1 1 322 3 3 323 1 1 333 1 1 334 6 6 335 5 5 336 2 2 348 4 4 349 8 8 350 6 6 351 5 5 352 1 1 359 1 1 361 1 1 362 5 5 363 2 2 364 5 5 365 1 1 376 1 1 377 5 5 378 2 2 451 3 3 452 12 12 453 6 6 454 2 2 466 6 6 467 24 24 468 10 10 469 5 5 470 1 1 //

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