ACCESSION: MSBNK-RIKEN-PR010029
RECORD_TITLE: Uridine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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 16704
CH$LINK: KEGG C00299
CH$LINK: NIKKAJI J4.593D
CH$LINK: PUBCHEM 3593
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2448.9
AC$CHROMATOGRAPHY: RETENTION_TIME 562.786 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C18H36N2O6Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 460.18812
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9520000000-591c0bcf8f956d710367
PK$NUM_PEAK: 208
PK$PEAK: m/z int. rel.int.
  60 7 7
  61 14 14
  62 1 1
  63 5 5
  65 2 2
  66 5 5
  67 6 6
  68 2 2
  69 16 16
  70 14 14
  71 7 7
  72 24 24
  73 999 999
  74 79 79
  75 221 221
  76 17 17
  77 60 60
  79 3 3
  80 2 2
  81 9 9
  82 3 3
  83 7 7
  84 11 11
  85 11 11
  86 5 5
  87 6 6
  88 3 3
  89 14 14
  90 3 3
  91 1 1
  92 5 5
  93 4 4
  94 4 4
  95 6 6
  97 7 7
  99 38 38
  100 12 12
  101 28 28
  102 7 7
  103 141 141
  104 10 10
  105 6 6
  108 2 2
  109 3 3
  110 2 2
  111 4 4
  112 4 4
  113 14 14
  114 3 3
  115 25 25
  116 11 11
  117 24 24
  118 5 5
  119 7 7
  120 1 1
  125 2 2
  126 4 4
  127 8 8
  128 1 1
  129 58 58
  130 6 6
  131 25 25
  132 4 4
  133 42 42
  134 3 3
  135 3 3
  137 3 3
  138 2 2
  139 3 3
  140 3 3
  141 1 1
  142 4 4
  143 19 19
  144 1 1
  145 7 7
  147 140 140
  148 32 32
  149 24 24
  150 3 3
  153 10 10
  154 4 4
  155 3 3
  156 3 3
  157 10 10
  158 1 1
  160 1 1
  163 1 1
  164 3 3
  166 4 4
  168 7 7
  169 78 78
  170 14 14
  171 8 8
  173 3 3
  174 3 3
  175 4 4
  177 3 3
  179 1 1
  183 4 4
  184 1 1
  185 18 18
  186 2 2
  187 2 2
  189 9 9
  190 1 1
  191 23 23
  192 1 1
  193 3 3
  195 1 1
  199 1 1
  201 1 1
  203 4 4
  204 4 4
  205 4 4
  210 3 3
  211 6 6
  213 8 8
  214 4 4
  215 9 9
  216 2 2
  217 215 215
  218 47 47
  219 18 18
  220 8 8
  221 12 12
  222 3 3
  227 2 2
  229 3 3
  230 11 11
  231 6 6
  232 2 2
  236 1 1
  243 27 27
  244 5 5
  245 21 21
  246 2 2
  255 1 1
  256 3 3
  257 2 2
  258 1 1
  259 39 39
  260 9 9
  261 2 2
  265 7 7
  267 5 5
  269 1 1
  271 1 1
  272 1 1
  279 2 2
  281 5 5
  282 2 2
  296 2 2
  299 1 1
  300 2 2
  310 1 1
  315 2 2
  325 2 2
  327 2 2
  329 3 3
  334 1 1
  337 1 1
  348 3 3
  353 1 1
  355 7 7
  357 3 3
  368 2 2
  377 1 1
  383 1 1
  391 2 2
  393 3 3
  400 2 2
  402 1 1
  404 1 1
  408 1 1
  415 1 1
  427 1 1
  432 1 1
  441 1 1
  448 1 1
  458 2 2
  467 1 1
  502 1 1
  504 1 1
  506 1 1
  507 1 1
  519 1 1
  520 1 1
  540 1 1
  543 1 1
  567 1 1
  592 1 1
  595 1 1
  598 2 2
  603 1 1
  626 1 1
  654 1 1
  663 2 2
  666 1 1
  673 1 1
  677 1 1
  681 1 1
  689 1 1
  691 2 2
  698 1 1
  699 1 1
  706 3 3
  726 2 2
  776 2 2
//