ACCESSION: MSBNK-Osaka_Univ-OUF00486
RECORD_TITLE: Uridine; GC-EI-TOF; MS; n TMS; RT:925.844 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, 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$NAME: Uridine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₉H₁₂N₂O₆
CH$EXACT_MASS: 244.06954
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2
CH$IUPAC: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
CH$LINK: CAS 58-96-8
CH$LINK: CHEBI 210497
CH$LINK: CHEMSPIDER 1144
CH$LINK: PUBCHEM 1177
CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N
CH$LINK: COMPTOX DTXSID40891555

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$CHROMATOGRAPHY: RETENTION_INDEX 2438.936
AC$CHROMATOGRAPHY: RETENTION_TIME 925.844 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-00kb-1960000000-a8283468b762a8520102
PK$NUM_PEAK: 260
PK$PEAK: m/z int. rel.int.
  85 66 66
  86 42 42
  87 41 41
  88 21 21
  89 93 93
  90 11 11
  91 7 7
  92 7 7
  93 11 11
  94 20 20
  95 28 28
  96 80 80
  97 58 58
  98 53 53
  99 475 475
  100 280 280
  101 193 193
  102 88 88
  103 504 504
  104 53 53
  105 43 43
  106 7 7
  107 2 2
  108 9 9
  109 18 18
  110 25 25
  111 63 63
  112 30 30
  113 121 121
  114 29 29
  115 118 118
  116 83 83
  117 171 171
  118 26 26
  119 48 48
  120 8 8
  121 2 2
  122 2 2
  123 5 5
  124 17 17
  125 24 24
  126 91 91
  127 60 60
  128 30 30
  129 294 294
  130 91 91
  131 161 161
  132 34 34
  133 300 300
  134 53 53
  135 43 43
  136 8 8
  137 6 6
  138 16 16
  139 11 11
  140 67 67
  141 48 48
  142 55 55
  143 178 178
  144 39 39
  145 87 87
  146 13 13
  147 999 999
  148 224 224
  149 164 164
  150 32 32
  151 17 17
  152 14 14
  153 115 115
  154 53 53
  155 53 53
  156 31 31
  157 63 63
  158 23 23
  159 27 27
  160 9 9
  161 4 4
  162 1 1
  163 27 27
  164 4 4
  165 2 2
  166 9 9
  167 115 115
  168 137 137
  169 731 731
  170 123 123
  171 88 88
  172 11 11
  173 24 24
  174 19 19
  175 17 17
  176 5 5
  177 17 17
  178 2 2
  179 2 2
  181 9 9
  182 11 11
  183 81 81
  184 30 30
  185 138 138
  186 23 23
  187 9 9
  188 3 3
  189 45 45
  190 9 9
  191 96 96
  192 21 21
  193 16 16
  194 5 5
  195 5 5
  196 151 151
  197 32 32
  198 13 13
  199 8 8
  200 4 4
  201 11 11
  202 8 8
  203 33 33
  204 27 27
  205 12 12
  206 3 3
  207 14 14
  208 6 6
  209 26 26
  210 5 5
  211 10 10
  212 3 3
  213 12 12
  214 3 3
  215 72 72
  216 23 23
  217 864 864
  218 256 256
  219 108 108
  220 23 23
  221 14 14
  222 4 4
  223 7 7
  224 453 453
  225 95 95
  226 34 34
  227 12 12
  228 4 4
  229 18 18
  230 76 76
  231 42 42
  232 14 14
  233 4 4
  235 1 1
  236 1 1
  237 1 1
  238 3 3
  239 7 7
  240 8 8
  241 297 297
  242 84 84
  243 426 426
  244 110 110
  245 470 470
  246 111 111
  247 49 49
  248 8 8
  250 1 1
  252 1 1
  253 3 3
  255 47 47
  256 37 37
  257 318 318
  258 451 451
  259 208 208
  260 68 68
  261 21 21
  262 3 3
  263 12 12
  265 1 1
  267 1 1
  269 6 6
  270 6 6
  271 4 4
  280 2 2
  281 2 2
  283 22 22
  284 6 6
  285 27 27
  286 27 27
  287 10 10
  288 3 3
  289 1 1
  295 1 1
  296 2 2
  297 3 3
  298 2 2
  299 24 24
  300 5 5
  301 3 3
  304 1 1
  306 1 1
  307 1 1
  310 2 2
  311 20 20
  312 8 8
  313 16 16
  314 42 42
  315 143 143
  316 41 41
  317 15 15
  318 8 8
  323 8 8
  324 3 3
  326 4 4
  327 1 1
  329 2 2
  331 2 2
  332 3 3
  333 2 2
  337 2 2
  338 1 1
  339 7 7
  340 2 2
  342 2 2
  346 2 2
  347 1 1
  348 50 50
  349 21 21
  350 8 8
  351 2 2
  352 4 4
  353 2 2
  358 1 1
  362 1 1
  370 1 1
  371 11 11
  372 4 4
  373 3 3
  374 1 1
  384 2 2
  386 5 5
  387 11 11
  388 3 3
  389 1 1
  395 1 1
  399 1 1
  401 3 3
  403 3 3
  404 2 2
  407 1 1
  408 1 1
  409 2 2
  413 1 1
  414 4 4
  415 4 4
  417 1 1
  424 1 1
  430 2 2
  434 1 1
  440 2 2
  442 6 6
  453 1 1
  464 1 1
  465 1 1
//