MassBank Record: KZ000062



 Isopentenyladenosine; GC-EI-TOF; MS; 3 TMS; BP:160 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000062
RECORD_TITLE: Isopentenyladenosine; GC-EI-TOF; MS; 3 TMS; BP:160
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_01610_P000100

CH$NAME: N-6-(delta-2-Isopentenyl)adenosine CH$NAME: Isopentenyladenosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H21N5O4 CH$EXACT_MASS: 335.15935 CH$SMILES: CC(C)=CCNc(n3)c(n2)c(nc3)n(c2)C(O1)C(O)C(O)C(CO)1 CH$IUPAC: InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 CH$LINK: CAS 7724-76-7 CH$LINK: INCHIKEY USVMJSALORZVDV-SDBHATRESA-N CH$LINK: COMPTOX DTXSID1057828
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 3241.3 AC$CHROMATOGRAPHY: RETENTION_TIME 1316.76 sec
MS$FOCUSED_ION: BASE_PEAK 160 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0w30-0960000000-0035fb65e8672a86a8e4 PK$NUM_PEAK: 269 PK$PEAK: m/z int. rel.int. 82 27 27 83 20 20 84 115 115 85 41 41 86 15 15 87 28 28 88 12 12 89 77 77 90 10 10 91 10 10 92 31 31 93 46 46 94 40 40 95 16 16 96 6 6 97 37 37 98 12 12 99 50 50 100 14 14 101 136 136 102 25 25 103 852 852 104 90 90 105 58 58 106 22 22 107 15 15 108 79 79 109 21 21 110 5 5 111 34 34 112 9 9 113 53 53 114 11 11 115 186 186 116 59 59 117 137 137 118 27 27 119 133 133 120 52 52 121 34 34 122 6 6 123 8 8 124 4 4 125 10 10 126 8 8 127 28 28 128 7 7 129 199 199 130 29 29 131 104 104 132 31 31 133 187 187 134 51 51 135 236 236 136 171 171 137 18 18 138 8 8 139 4 4 140 8 8 141 27 27 142 21 21 143 94 94 144 25 25 145 45 45 146 25 25 147 540 540 148 163 163 149 82 82 150 17 17 151 12 12 152 6 6 153 29 29 154 7 7 155 12 12 156 10 10 157 50 50 158 22 22 159 50 50 160 999 999 161 137 137 162 24 24 163 16 16 164 152 152 165 30 30 166 9 9 167 7 7 168 5 5 169 133 133 170 24 24 171 32 32 172 20 20 173 34 34 174 30 30 175 49 49 176 42 42 177 15 15 178 10 10 179 8 8 180 5 5 181 4 4 182 2 2 183 3 3 184 4 4 185 81 81 186 42 42 187 32 32 188 347 347 189 104 104 190 22 22 191 34 34 192 54 54 193 15 15 194 10 10 195 4 4 196 3 3 197 3 3 198 5 5 199 4 4 200 14 14 201 15 15 202 367 367 203 527 527 204 222 222 205 38 38 206 45 45 207 26 26 208 32 32 209 8 8 210 4 4 211 2 2 212 2 2 213 2 2 214 17 17 215 18 18 216 12 12 217 296 296 218 72 72 219 44 44 220 20 20 221 10 10 222 5 5 223 3 3 224 2 2 225 1 1 226 2 2 227 2 2 228 4 4 229 17 17 230 536 536 231 145 145 232 789 789 233 129 129 234 52 52 235 11 11 236 8 8 237 2 2 238 1 1 239 1 1 241 1 1 242 4 4 243 157 157 244 44 44 245 302 302 246 69 69 247 33 33 248 12 12 249 8 8 250 20 20 251 5 5 252 2 2 255 1 1 256 1 1 257 14 14 258 22 22 259 109 109 260 55 55 261 20 20 262 31 31 263 7 7 264 4 4 265 5 5 266 4 4 267 1 1 268 1 1 272 1 1 273 3 3 274 73 73 275 35 35 276 64 64 277 15 15 278 6 6 279 1 1 280 1 1 282 1 1 285 1 1 286 2 2 287 2 2 288 6 6 289 4 4 290 13 13 291 8 8 292 3 3 293 1 1 294 1 1 299 2 2 300 1 1 301 2 2 302 22 22 303 6 6 304 7 7 305 3 3 306 4 4 307 2 2 308 1 1 314 1 1 315 1 1 316 6 6 317 7 7 318 47 47 319 13 13 320 10 10 321 3 3 322 5 5 323 1 1 330 6 6 331 2 2 332 2 2 333 15 15 334 5 5 335 1 1 336 1 1 342 1 1 344 1 1 346 2 2 347 2 2 348 12 12 349 4 4 350 3 3 351 1 1 356 1 1 358 1 1 362 1 1 371 1 1 372 4 4 373 1 1 374 1 1 376 1 1 377 1 1 378 1 1 380 1 1 388 1 1 389 1 1 390 4 4 391 2 2 392 1 1 418 2 2 419 2 2 420 5 5 421 2 2 422 1 1 446 3 3 447 1 1 448 4 4 449 1 1 461 1 1 462 1 1 463 1 1 483 1 1 484 1 1 //

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