MassBank Record: OUF00031



 2'-Deoxyuridine; GC-EI-TOF; MS; n TMS; RT:925.664 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00031
RECORD_TITLE: 2'-Deoxyuridine; GC-EI-TOF; MS; n TMS; RT:925.664 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$NAME: 2'-Deoxyuridine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C9H12N2O5 CH$EXACT_MASS: 228.07462 CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1N(C=2)C(=O)NC(=O)C2 CH$IUPAC: InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1 CH$LINK: CAS 951-78-0 CH$LINK: CHEMSPIDER 13118 CH$LINK: KEGG C00526 CH$LINK: PUBCHEM 13712 CH$LINK: INCHIKEY MXHRCPNRJAMMIM-SHYZEUOFSA-N
AC$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 2438.371 AC$CHROMATOGRAPHY: RETENTION_TIME 925.664 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0udi-0900000000-13135426d5efdf47090c PK$NUM_PEAK: 179 PK$PEAK: m/z int. rel.int. 85 53 53 86 30 30 87 27 27 88 9 9 89 30 30 90 5 5 91 4 4 92 4 4 93 4 4 94 17 17 95 26 26 96 56 56 97 22 22 98 22 22 99 165 165 100 195 195 101 147 147 102 31 31 103 999 999 104 102 102 105 54 54 106 4 4 107 3 3 108 11 11 109 14 14 110 3 3 111 57 57 112 18 18 113 85 85 114 15 15 115 33 33 116 37 37 117 145 145 118 20 20 119 20 20 120 4 4 121 2 2 122 3 3 123 4 4 124 10 10 125 31 31 126 37 37 127 48 48 128 14 14 129 149 149 130 22 22 131 47 47 132 13 13 133 104 104 134 16 16 135 13 13 136 8 8 137 4 4 138 2 2 139 7 7 140 5 5 141 14 14 142 100 100 143 55 55 144 11 11 145 94 94 146 13 13 147 197 197 148 38 38 149 37 37 150 6 6 151 5 5 152 5 5 153 45 45 154 13 13 155 240 240 156 44 44 157 50 50 158 8 8 159 7 7 160 1 1 161 2 2 163 5 5 164 1 1 165 2 2 166 5 5 167 11 11 168 23 23 169 581 581 170 315 315 171 122 122 172 28 28 173 7 7 174 4 4 175 5 5 177 2 2 179 2 2 182 6 6 183 52 52 184 38 38 185 324 324 186 50 50 187 15 15 188 1 1 189 10 10 190 1 1 191 9 9 192 2 2 194 1 1 195 29 29 196 6 6 197 5 5 198 86 86 199 19 19 200 5 5 203 3 3 204 4 4 207 2 2 209 3 3 210 1 1 211 6 6 212 1 1 213 2 2 215 7 7 216 2 2 217 97 97 218 27 27 219 9 9 223 2 2 224 1 1 225 1 1 226 35 35 227 7 7 228 1 1 230 1 1 231 1 1 236 4 4 237 8 8 238 11 11 239 4 4 240 1 1 241 53 53 242 12 12 243 14 14 244 2 2 245 12 12 246 2 2 251 13 13 252 1 1 253 2 2 255 13 13 256 8 8 257 58 58 258 13 13 259 12 12 260 6 6 261 3 3 262 1 1 264 1 1 267 1 1 269 4 4 270 8 8 271 3 3 283 11 11 284 1 1 285 1 1 298 3 3 299 4 4 300 6 6 301 1 1 311 3 3 312 7 7 313 3 3 326 1 1 327 1 1 339 9 9 341 8 8 342 2 2 390 1 1 442 1 1 444 2 2 445 1 1 446 1 1 469 1 1 //