MassBank Record: KZ000106



 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: KZ000106
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_05403_P000047

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 1188.46 sec
MS$FOCUSED_ION: BASE_PEAK 236 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-001v-0691000000-8f88854b7d5adec5c558 PK$NUM_PEAK: 285 PK$PEAK: m/z int. rel.int. 82 4 4 83 10 10 84 67 67 85 56 56 86 19 19 87 16 16 88 8 8 89 43 43 90 4 4 91 2 2 92 2 2 93 3 3 94 3 3 95 8 8 96 5 5 97 22 22 98 13 13 99 60 60 100 23 23 101 87 87 102 16 16 103 509 509 104 51 51 105 26 26 106 4 4 107 3 3 108 8 8 109 17 17 110 9 9 111 64 64 112 11 11 113 39 39 114 8 8 115 105 105 116 59 59 117 103 103 118 15 15 119 26 26 120 5 5 121 5 5 122 5 5 123 13 13 124 8 8 125 11 11 126 11 11 127 20 20 128 6 6 129 147 147 130 24 24 131 69 69 132 18 18 133 129 129 134 20 20 135 24 24 136 11 11 137 15 15 138 24 24 139 7 7 140 9 9 141 20 20 142 21 21 143 70 70 144 23 23 145 32 32 146 9 9 147 437 437 148 75 75 149 63 63 150 17 17 151 15 15 152 7 7 153 21 21 154 5 5 155 9 9 156 9 9 157 35 35 158 11 11 159 9 9 160 4 4 161 6 6 162 18 18 163 9 9 164 25 25 165 100 100 166 30 30 167 10 10 168 8 8 169 108 108 170 18 18 171 16 16 172 4 4 173 7 7 174 4 4 175 9 9 176 24 24 177 15 15 178 10 10 179 11 11 180 19 19 181 12 12 182 5 5 183 4 4 184 3 3 185 3 3 186 2 2 187 4 4 188 3 3 189 49 49 190 22 22 191 44 44 192 381 381 193 68 68 194 20 20 195 4 4 196 3 3 197 1 1 198 1 1 199 2 2 200 2 2 201 4 4 202 3 3 203 8 8 204 22 22 205 18 18 206 102 102 207 80 80 208 223 223 209 47 47 210 14 14 211 3 3 212 1 1 213 1 1 214 2 2 215 15 15 216 10 10 217 386 386 218 89 89 219 52 52 220 22 22 221 11 11 222 5 5 223 4 4 224 2 2 225 1 1 226 1 1 227 1 1 228 2 2 229 15 15 230 912 912 231 220 220 232 103 103 233 21 21 234 17 17 235 12 12 236 999 999 237 183 183 238 54 54 239 9 9 240 2 2 241 1 1 242 3 3 243 218 218 244 56 56 245 470 470 246 111 111 247 50 50 248 16 16 249 6 6 250 6 6 251 3 3 252 2 2 253 1 1 257 20 20 258 58 58 259 118 118 260 33 33 261 13 13 262 11 11 263 7 7 264 78 78 265 24 24 266 17 17 267 4 4 268 1 1 274 2 2 275 1 1 276 3 3 277 4 4 278 36 36 279 68 68 280 138 138 281 37 37 282 15 15 283 3 3 284 1 1 286 3 3 287 1 1 288 2 2 289 1 1 290 5 5 291 8 8 292 9 9 293 6 6 294 7 7 295 3 3 296 2 2 297 1 1 302 1 1 303 1 1 304 4 4 305 4 4 306 69 69 307 21 21 308 17 17 309 7 7 310 3 3 311 1 1 317 1 1 318 3 3 319 4 4 320 20 20 321 13 13 322 96 96 323 28 28 324 11 11 325 2 2 331 3 3 332 3 3 333 6 6 334 43 43 335 13 13 336 8 8 337 31 31 338 13 13 339 5 5 340 1 1 346 6 6 347 5 5 348 54 54 349 18 18 350 10 10 351 3 3 352 1 1 354 1 1 360 5 5 361 2 2 362 11 11 363 3 3 364 2 2 365 1 1 374 1 1 375 9 9 376 15 15 377 5 5 378 5 5 379 2 2 380 1 1 392 3 3 393 2 2 394 12 12 395 5 5 396 3 3 397 1 1 408 4 4 409 2 2 410 1 1 422 1 1 423 1 1 424 2 2 425 1 1 436 2 2 437 1 1 438 1 1 449 1 1 450 11 11 451 7 7 452 14 14 453 6 6 454 2 2 464 2 2 465 11 11 466 7 7 467 4 4 468 1 1 482 1 1 //

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