MassBank Record: OUF00030



 2'-Deoxyuridine; GC-EI-TOF; MS; n TMS; RT:901.257 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00030
RECORD_TITLE: 2'-Deoxyuridine; GC-EI-TOF; MS; n TMS; RT:901.257 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 2363.296 AC$CHROMATOGRAPHY: RETENTION_TIME 901.257 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0udi-0900000000-c680f47a48626bc1de41 PK$NUM_PEAK: 120 PK$PEAK: m/z int. rel.int. 85 26 26 86 8 8 87 17 17 88 6 6 89 24 24 90 3 3 91 3 3 92 3 3 94 4 4 95 12 12 96 38 38 97 13 13 98 9 9 99 59 59 100 23 23 101 100 100 102 13 13 103 999 999 104 102 102 105 51 51 106 3 3 107 1 1 108 9 9 109 2 2 110 1 1 111 24 24 112 19 19 113 34 34 114 5 5 115 22 22 116 14 14 117 179 179 118 21 21 119 15 15 120 3 3 122 2 2 124 7 7 125 10 10 126 8 8 127 25 25 128 8 8 129 143 143 130 19 19 131 35 35 132 5 5 133 67 67 134 8 8 135 7 7 136 2 2 137 1 1 138 1 1 139 2 2 140 3 3 141 7 7 142 12 12 143 30 30 144 5 5 145 83 83 146 8 8 147 80 80 148 13 13 149 11 11 150 3 3 151 7 7 152 1 1 153 2 2 154 2 2 155 71 71 156 16 16 157 34 34 158 4 4 159 3 3 163 3 3 167 1 1 168 2 2 169 67 67 170 46 46 171 216 216 172 36 36 173 19 19 174 1 1 175 2 2 177 1 1 179 1 1 183 3 3 184 11 11 185 7 7 186 1 1 189 21 21 190 3 3 191 2 2 192 5 5 193 2 2 195 5 5 196 3 3 204 2 2 211 17 17 212 2 2 213 1 1 217 15 15 218 3 3 219 3 3 240 2 2 241 2 2 242 4 4 243 2 2 244 1 1 245 6 6 246 1 1 249 1 1 261 37 37 262 6 6 263 3 3 264 2 2 267 4 4 282 2 2 283 1 1 453 1 1 454 1 1 483 1 1 //