MassBank Record: KZ000013



 Adenosine; GC-EI-TOF; MS; 4 TMS; BP:236 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000013
RECORD_TITLE: Adenosine; GC-EI-TOF; MS; 4 TMS; BP:236
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_01430_P000081

CH$NAME: Adenosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13N5O4 CH$EXACT_MASS: 267.09675 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 CH$IUPAC: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 CH$LINK: CAS 58-61-7 CH$LINK: KEGG C00212 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558
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 2798.1 AC$CHROMATOGRAPHY: RETENTION_TIME 1190.61 sec
MS$FOCUSED_ION: BASE_PEAK 236 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0f7w-1890000000-5c70a5423faa5e8eceaf PK$NUM_PEAK: 276 PK$PEAK: m/z int. rel.int. 82 10 10 83 25 25 84 122 122 85 98 98 86 36 36 87 34 34 88 17 17 89 77 77 90 9 9 91 6 6 92 9 9 93 8 8 94 7 7 95 19 19 96 13 13 97 42 42 98 22 22 99 109 109 100 40 40 101 145 145 102 28 28 103 781 781 104 81 81 105 43 43 106 8 8 107 6 6 108 14 14 109 35 35 110 15 15 111 110 110 112 19 19 113 66 66 114 15 15 115 156 156 116 84 84 117 145 145 118 21 21 119 38 38 120 8 8 121 8 8 122 8 8 123 19 19 124 12 12 125 19 19 126 16 16 127 35 35 128 10 10 129 224 224 130 38 38 131 108 108 132 27 27 133 189 189 134 30 30 135 37 37 136 17 17 137 23 23 138 38 38 139 10 10 140 14 14 141 30 30 142 34 34 143 102 102 144 31 31 145 42 42 146 12 12 147 623 623 148 107 107 149 92 92 150 24 24 151 22 22 152 10 10 153 33 33 154 8 8 155 14 14 156 13 13 157 50 50 158 15 15 159 12 12 160 5 5 161 8 8 162 23 23 163 12 12 164 34 34 165 153 153 166 35 35 167 14 14 168 10 10 169 134 134 170 23 23 171 21 21 172 6 6 173 9 9 174 5 5 175 11 11 176 31 31 177 19 19 178 12 12 179 16 16 180 29 29 181 14 14 182 5 5 183 5 5 184 3 3 185 4 4 186 2 2 187 6 6 188 3 3 189 63 63 190 25 25 191 55 55 192 480 480 193 81 81 194 25 25 195 5 5 196 3 3 197 2 2 198 2 2 199 2 2 200 2 2 201 5 5 202 4 4 203 9 9 204 26 26 205 20 20 206 114 114 207 86 86 208 243 243 209 50 50 210 14 14 211 3 3 212 1 1 213 1 1 214 2 2 215 19 19 216 13 13 217 420 420 218 96 96 219 56 56 220 25 25 221 12 12 222 6 6 223 6 6 224 2 2 225 2 2 226 1 1 227 1 1 228 2 2 229 17 17 230 873 873 231 213 213 232 102 102 233 21 21 234 21 21 235 13 13 236 999 999 237 186 186 238 55 55 239 11 11 240 2 2 241 2 2 242 3 3 243 231 231 244 58 58 245 507 507 246 117 117 247 53 53 248 17 17 249 7 7 250 7 7 251 4 4 252 2 2 253 1 1 257 19 19 258 55 55 259 112 112 260 31 31 261 12 12 262 12 12 263 8 8 264 85 85 265 27 27 266 19 19 267 4 4 268 1 1 273 1 1 274 2 2 275 1 1 276 3 3 277 4 4 278 34 34 279 62 62 280 128 128 281 34 34 282 14 14 283 2 2 284 1 1 286 4 4 287 1 1 288 2 2 289 1 1 290 5 5 291 8 8 292 8 8 293 6 6 294 6 6 295 2 2 296 2 2 302 1 1 303 1 1 304 4 4 305 5 5 306 68 68 307 20 20 308 16 16 309 7 7 310 2 2 311 1 1 317 1 1 318 3 3 319 4 4 320 18 18 321 12 12 322 89 89 323 25 25 324 10 10 325 2 2 331 2 2 332 3 3 333 5 5 334 37 37 335 11 11 336 6 6 337 26 26 338 10 10 339 4 4 340 1 1 346 5 5 347 4 4 348 38 38 349 12 12 350 7 7 351 2 2 352 1 1 360 4 4 361 2 2 362 8 8 363 2 2 364 1 1 374 1 1 375 6 6 376 11 11 377 4 4 378 4 4 379 1 1 380 1 1 392 2 2 393 2 2 394 9 9 395 3 3 396 2 2 408 2 2 409 1 1 422 1 1 424 1 1 436 1 1 437 1 1 449 1 1 450 6 6 451 5 5 452 8 8 453 3 3 454 1 1 464 1 1 465 6 6 466 4 4 467 2 2 //

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