ACCESSION: MSBNK-Osaka_Univ-OUF00487
RECORD_TITLE: Uridine; GC-EI-TOF; MS; n TMS; RT:930.644 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$CHROMATOGRAPHY: RETENTION_INDEX 2454.006
AC$CHROMATOGRAPHY: RETENTION_TIME 930.644 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-014i-1950000000-70fdf4785544d0968f70
PK$NUM_PEAK: 209
PK$PEAK: m/z int. rel.int.
  85 53 53
  86 13 13
  87 23 23
  88 10 10
  89 68 68
  90 5 5
  91 3 3
  92 7 7
  93 5 5
  94 9 9
  95 25 25
  96 31 31
  97 57 57
  98 23 23
  99 186 186
  100 49 49
  101 124 124
  102 33 33
  103 538 538
  104 66 66
  105 35 35
  106 4 4
  107 1 1
  108 5 5
  110 11 11
  111 41 41
  112 23 23
  113 68 68
  114 15 15
  115 131 131
  116 39 39
  117 112 112
  118 11 11
  119 34 34
  120 6 6
  121 3 3
  123 1 1
  124 18 18
  125 22 22
  126 41 41
  127 31 31
  128 19 19
  129 246 246
  130 35 35
  131 96 96
  132 19 19
  133 219 219
  134 32 32
  135 22 22
  136 11 11
  137 8 8
  138 15 15
  139 1 1
  140 30 30
  141 23 23
  142 24 24
  143 110 110
  144 14 14
  145 34 34
  146 7 7
  147 478 478
  148 149 149
  149 115 115
  150 17 17
  151 9 9
  152 4 4
  153 46 46
  154 16 16
  155 23 23
  156 17 17
  157 33 33
  158 11 11
  159 17 17
  160 3 3
  161 2 2
  163 15 15
  164 2 2
  165 4 4
  167 6 6
  168 39 39
  169 412 412
  170 68 68
  171 60 60
  172 6 6
  173 9 9
  174 6 6
  175 2 2
  177 6 6
  179 6 6
  181 5 5
  182 3 3
  183 43 43
  184 10 10
  185 100 100
  186 17 17
  187 5 5
  189 53 53
  190 11 11
  191 134 134
  192 18 18
  193 6 6
  196 10 10
  197 5 5
  200 3 3
  201 2 2
  202 1 1
  203 23 23
  204 28 28
  205 9 9
  206 3 3
  207 3 3
  211 35 35
  212 10 10
  213 85 85
  214 9 9
  215 52 52
  216 18 18
  217 999 999
  218 255 255
  219 115 115
  220 24 24
  221 8 8
  222 3 3
  225 2 2
  226 16 16
  227 8 8
  228 1 1
  229 18 18
  230 60 60
  231 43 43
  232 14 14
  234 5 5
  239 7 7
  240 2 2
  241 14 14
  242 4 4
  243 138 138
  244 26 26
  245 62 62
  246 8 8
  249 3 3
  250 3 3
  252 1 1
  255 3 3
  257 19 19
  258 13 13
  259 212 212
  260 43 43
  261 24 24
  262 2 2
  265 38 38
  267 20 20
  268 3 3
  271 8 8
  272 2 2
  277 1 1
  280 7 7
  281 3 3
  282 2 2
  283 2 2
  285 1 1
  289 4 4
  290 1 1
  299 39 39
  300 8 8
  301 3 3
  302 1 1
  315 28 28
  316 2 2
  317 8 8
  318 8 8
  323 3 3
  329 2 2
  332 4 4
  333 9 9
  334 1 1
  338 3 3
  341 5 5
  342 1 1
  346 2 2
  347 2 2
  348 3 3
  349 5 5
  350 7 7
  352 1 1
  354 6 6
  357 3 3
  358 2 2
  362 1 1
  371 2 2
  372 1 1
  374 4 4
  383 2 2
  395 1 1
  408 2 2
  422 4 4
  432 1 1
  434 1 1
  444 2 2
  445 7 7
  446 7 7
  448 2 2
  465 2 2
  468 2 2
  471 1 1
  482 1 1
  491 1 1
  495 2 2
  496 4 4
//