MassBank Record: OUF00024



 2'-Deoxyguanosine; GC-EI-TOF; MS; n TMS; RT:1027.340 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00024
RECORD_TITLE: 2'-Deoxyguanosine; GC-EI-TOF; MS; n TMS; RT:1027.340 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 2-Deoxyguanosine CH$NAME: 2'-Deoxyguanosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13N5O4 CH$EXACT_MASS: 267.09675 CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC(N)2 CH$IUPAC: InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 CH$LINK: CAS 961-07-9 CH$LINK: CHEBI 17172 209074 CH$LINK: CHEMSPIDER 163230 CH$LINK: KEGG C00330 CH$LINK: PUBCHEM 187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 2776.651 AC$CHROMATOGRAPHY: RETENTION_TIME 1027.340 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-001j-0891000000-3d776d25cb03b01b9339 PK$NUM_PEAK: 239 PK$PEAK: m/z int. rel.int. 85 30 30 86 9 9 87 29 29 88 4 4 89 32 32 90 1 1 92 3 3 93 4 4 95 2 2 96 6 6 97 3 3 98 16 16 99 85 85 100 47 47 101 81 81 102 24 24 103 717 717 104 76 76 105 32 32 111 68 68 112 12 12 113 22 22 114 9 9 115 15 15 116 12 12 117 117 117 118 17 17 119 21 21 120 3 3 122 13 13 124 9 9 125 23 23 126 11 11 127 17 17 128 6 6 129 60 60 130 27 27 131 85 85 132 36 36 133 80 80 134 34 34 135 12 12 136 1 1 137 10 10 138 15 15 139 9 9 140 23 23 141 18 18 142 7 7 143 15 15 144 20 20 145 54 54 146 43 43 147 226 226 148 56 56 149 31 31 150 6 6 151 3 3 152 17 17 153 8 8 154 5 5 155 34 34 156 15 15 157 32 32 158 53 53 159 21 21 160 7 7 161 8 8 162 3 3 164 11 11 165 26 26 166 83 83 167 22 22 168 6 6 169 27 27 171 72 72 172 40 40 173 16 16 174 6 6 175 4 4 176 7 7 177 5 5 178 8 8 179 8 8 180 6 6 181 4 4 182 19 19 183 2 2 184 5 5 185 4 4 187 17 17 189 35 35 190 35 35 191 35 35 192 26 26 193 2 2 195 5 5 197 11 11 198 8 8 201 2 2 202 9 9 203 2 2 205 11 11 206 30 30 207 26 26 208 28 28 214 2 2 216 5 5 217 19 19 218 4 4 219 14 14 220 10 10 221 18 18 222 26 26 223 9 9 224 4 4 225 1 1 226 1 1 227 4 4 228 5 5 229 2 2 232 9 9 233 7 7 234 17 17 236 11 11 237 7 7 238 24 24 239 15 15 240 8 8 245 1 1 246 8 8 247 7 7 248 11 11 250 2 2 251 16 16 252 9 9 253 4 4 255 2 2 256 2 2 258 1 1 260 2 2 263 4 4 264 79 79 265 24 24 266 17 17 268 1 1 269 2 2 270 3 3 271 5 5 274 5 5 275 4 4 276 6 6 277 4 4 278 27 27 279 45 45 280 999 999 281 306 306 282 144 144 283 29 29 286 3 3 287 7 7 288 3 3 289 6 6 290 11 11 291 14 14 292 9 9 293 4 4 294 58 58 295 654 654 296 216 216 297 88 88 298 33 33 299 2 2 305 4 4 306 73 73 307 36 36 308 18 18 309 9 9 311 1 1 313 3 3 315 2 2 316 5 5 318 1 1 319 3 3 320 4 4 321 6 6 322 29 29 323 10 10 324 42 42 325 20 20 326 16 16 330 2 2 332 1 1 333 3 3 334 4 4 335 1 1 338 3 3 348 4 4 350 11 11 351 5 5 352 12 12 353 3 3 354 1 1 357 2 2 360 8 8 363 1 1 364 4 4 368 1 1 375 3 3 376 2 2 392 1 1 394 7 7 395 3 3 396 3 3 400 1 1 418 3 3 419 2 2 422 1 1 424 4 4 425 1 1 426 3 3 440 3 3 441 2 2 442 1 1 443 2 2 444 1 1 447 1 1 452 6 6 453 6 6 456 3 3 458 3 3 466 10 10 467 1 1 468 1 1 469 4 4 470 1 1 479 1 1 482 2 2 492 1 1 //