MassBank Record: OUF00028



 2'-Deoxyinosine; GC-EI-TOF; MS; n TMS; RT:960.390 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00028
RECORD_TITLE: 2'-Deoxyinosine; GC-EI-TOF; MS; n TMS; RT:960.390 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$NAME: 2'-Deoxyinosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H12N4O4 CH$EXACT_MASS: 252.08585 CH$SMILES: OCC(O1)C(O)CC1n(c3)c(N=2)c(n3)C(=O)NC2 CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1 CH$LINK: CAS 890-38-0 CH$LINK: CHEBI 28997 CH$LINK: CHEMSPIDER 58569 CH$LINK: KEGG C05512 CH$LINK: PUBCHEM 65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-RRKCRQDMSA-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$CHROMATOGRAPHY: RETENTION_INDEX 2549.176 AC$CHROMATOGRAPHY: RETENTION_TIME 960.390 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0zfr-0940000000-e72ee71b7bb48b638ddc PK$NUM_PEAK: 198 PK$PEAK: m/z int. rel.int. 85 42 42 86 17 17 87 19 19 88 7 7 89 24 24 90 4 4 91 5 5 92 7 7 93 9 9 94 6 6 95 11 11 96 9 9 97 43 43 98 14 14 99 37 37 100 21 21 101 98 98 102 15 15 103 999 999 104 99 99 105 48 48 106 6 6 107 3 3 108 3 3 109 9 9 110 39 39 111 64 64 112 14 14 113 36 36 114 7 7 115 21 21 116 28 28 117 140 140 118 21 21 119 27 27 120 7 7 121 3 3 122 3 3 123 9 9 124 11 11 125 21 21 126 7 7 127 32 32 128 9 9 129 80 80 130 12 12 131 33 33 132 8 8 133 77 77 134 19 19 135 11 11 136 15 15 137 13 13 138 38 38 139 13 13 140 5 5 141 11 11 142 42 42 143 40 40 144 8 8 145 92 92 146 14 14 147 107 107 148 23 23 149 20 20 150 10 10 151 6 6 152 7 7 153 5 5 154 3 3 155 137 137 156 27 27 157 34 34 158 8 8 159 5 5 160 3 3 161 1 1 162 2 2 163 18 18 164 8 8 165 12 12 166 44 44 167 17 17 168 5 5 169 111 111 170 141 141 171 63 63 172 13 13 173 5 5 174 1 1 175 3 3 176 5 5 177 18 18 178 7 7 179 10 10 180 5 5 181 9 9 182 3 3 183 1 1 187 1 1 189 34 34 190 9 9 191 9 9 192 24 24 193 441 441 194 83 83 195 23 23 196 3 3 197 1 1 201 1 1 203 4 4 204 3 3 205 6 6 206 9 9 207 79 79 208 95 95 209 850 850 210 142 142 211 43 43 212 5 5 215 11 11 216 2 2 217 94 94 218 22 22 219 80 80 220 17 17 221 9 9 222 6 6 223 4 4 224 1 1 230 1 1 231 8 8 232 2 2 233 5 5 234 6 6 235 30 30 236 8 8 237 171 171 238 50 50 239 13 13 240 3 3 242 3 3 243 3 3 244 2 2 245 10 10 246 3 3 247 6 6 248 1 1 249 1 1 250 5 5 251 2 2 259 4 4 260 5 5 261 3 3 262 2 2 263 2 2 264 1 1 265 9 9 266 3 3 267 6 6 268 1 1 275 2 2 279 1 1 280 4 4 281 25 25 282 8 8 283 4 4 284 1 1 288 7 7 289 3 3 290 1 1 307 12 12 308 4 4 309 3 3 323 1 1 324 1 1 335 4 4 336 6 6 337 3 3 338 1 1 349 1 1 350 5 5 351 3 3 352 7 7 353 2 2 363 2 2 364 1 1 365 5 5 366 2 2 378 4 4 379 1 1 453 8 8 454 5 5 455 1 1 467 1 1 468 11 11 469 7 7 470 2 2 //