ACCESSION: MSBNK-Osaka_Univ-OUF00485
RECORD_TITLE: Uric acid; GC-EI-TOF; MS; n TMS; RT:805.093 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$NAME: Uric acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₄N₄O₃
CH$EXACT_MASS: 168.02834
CH$SMILES: O=C(N1)NC(N2)=C(NC(=O)2)C(=O)1
CH$IUPAC: InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
CH$LINK: CAS 69-93-2
CH$LINK: CHEBI 149476 17775 46811 46814 46817 46823
CH$LINK: CHEMSPIDER 1142
CH$LINK: KEGG C00366
CH$LINK: PUBCHEM CID:1175
CH$LINK: INCHIKEY LEHOTFFKMJEONL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3042508

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$CHROMATOGRAPHY: RETENTION_INDEX 2087.798
AC$CHROMATOGRAPHY: RETENTION_TIME 805.093 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0537-0913400000-bd24364053510c462ade
PK$NUM_PEAK: 342
PK$PEAK: m/z int. rel.int.
  85 49 49
  86 101 101
  87 44 44
  88 11 11
  89 11 11
  90 2 2
  91 2 2
  92 5 5
  93 8 8
  94 4 4
  95 7 7
  96 7 7
  97 10 10
  98 48 48
  99 56 56
  100 546 546
  101 70 70
  102 41 41
  103 38 38
  104 7 7
  105 19 19
  106 2 2
  107 3 3
  108 2 2
  109 3 3
  110 13 13
  111 30 30
  112 13 13
  113 27 27
  114 32 32
  115 51 51
  116 29 29
  117 82 82
  118 17 17
  119 19 19
  120 4 4
  121 3 3
  122 3 3
  123 3 3
  124 12 12
  125 23 23
  126 14 14
  127 27 27
  128 20 20
  129 19 19
  130 72 72
  131 296 296
  132 78 78
  133 132 132
  134 21 21
  135 12 12
  136 3 3
  137 5 5
  138 4 4
  139 10 10
  140 12 12
  141 87 87
  142 36 36
  143 22 22
  144 30 30
  145 19 19
  146 12 12
  147 999 999
  148 166 166
  149 87 87
  150 13 13
  151 11 11
  152 10 10
  153 9 9
  154 9 9
  155 25 25
  156 30 30
  157 51 51
  158 127 127
  159 31 31
  160 37 37
  161 9 9
  162 4 4
  164 2 2
  165 2 2
  166 4 4
  167 14 14
  168 17 17
  169 27 27
  170 17 17
  171 97 97
  172 141 141
  173 40 40
  174 91 91
  175 17 17
  176 10 10
  177 3 3
  178 4 4
  179 5 5
  180 6 6
  181 12 12
  182 22 22
  183 26 26
  184 26 26
  185 26 26
  186 11 11
  187 9 9
  188 30 30
  189 15 15
  190 11 11
  191 7 7
  192 3 3
  193 3 3
  194 5 5
  195 18 18
  196 9 9
  197 18 18
  198 24 24
  199 55 55
  200 14 14
  201 9 9
  202 4 4
  203 3 3
  204 15 15
  205 11 11
  206 5 5
  207 6 6
  208 6 6
  209 8 8
  210 10 10
  211 13 13
  212 9 9
  213 15 15
  214 7 7
  215 12 12
  216 5 5
  217 4 4
  218 2 2
  219 3 3
  220 3 3
  221 8 8
  222 9 9
  223 5 5
  224 20 20
  225 14 14
  226 9 9
  227 7 7
  228 5 5
  229 7 7
  230 7 7
  231 7 7
  232 10 10
  233 3 3
  234 2 2
  235 2 2
  236 5 5
  237 3 3
  238 13 13
  239 7 7
  240 15 15
  241 7 7
  242 8 8
  243 4 4
  244 4 4
  245 20 20
  246 8 8
  247 3 3
  248 2 2
  249 3 3
  250 3 3
  251 8 8
  252 23 23
  253 14 14
  254 13 13
  255 6 6
  256 7 7
  257 3 3
  258 2 2
  259 2 2
  260 1 1
  261 1 1
  262 1 1
  263 2 2
  264 1 1
  265 5 5
  266 7 7
  267 14 14
  268 13 13
  269 7 7
  270 5 5
  271 2 2
  272 1 1
  273 2 2
  276 1 1
  277 3 3
  278 3 3
  279 17 17
  280 9 9
  281 12 12
  282 6 6
  283 4 4
  284 7 7
  285 3 3
  286 3 3
  287 1 1
  288 1 1
  291 3 3
  292 4 4
  293 16 16
  294 23 23
  295 21 21
  296 12 12
  297 7 7
  298 7 7
  299 4 4
  300 2 2
  301 1 1
  302 1 1
  306 1 1
  307 2 2
  308 11 11
  309 12 12
  310 14 14
  311 13 13
  312 8 8
  313 5 5
  314 3 3
  315 2 2
  316 1 1
  317 1 1
  318 1 1
  321 1 1
  322 1 1
  323 4 4
  324 10 10
  325 14 14
  326 37 37
  327 21 21
  328 21 21
  329 9 9
  330 3 3
  331 1 1
  334 1 1
  335 1 1
  337 4 4
  338 4 4
  339 7 7
  340 7 7
  341 12 12
  342 7 7
  343 3 3
  344 2 2
  349 1 1
  350 2 2
  351 22 22
  352 22 22
  353 80 80
  354 41 41
  355 20 20
  356 8 8
  357 2 2
  358 2 2
  359 2 2
  361 1 1
  362 1 1
  364 2 2
  365 7 7
  366 28 28
  367 156 156
  368 158 158
  369 93 93
  370 41 41
  371 16 16
  372 6 6
  373 3 3
  374 3 3
  375 3 3
  376 4 4
  377 3 3
  378 3 3
  379 3 3
  380 3 3
  381 15 15
  382 193 193
  383 176 176
  384 98 98
  385 48 48
  386 17 17
  387 6 6
  388 2 2
  396 1 1
  397 1 1
  398 1 1
  399 2 2
  400 3 3
  401 4 4
  402 2 2
  403 1 1
  409 1 1
  410 1 1
  411 3 3
  412 3 3
  413 5 5
  414 5 5
  415 4 4
  416 3 3
  417 2 2
  418 1 1
  420 1 1
  423 1 1
  424 2 2
  425 9 9
  426 10 10
  427 6 6
  428 3 3
  429 2 2
  430 1 1
  431 1 1
  433 1 1
  435 1 1
  436 1 1
  437 1 1
  438 3 3
  439 10 10
  440 64 64
  441 544 544
  442 433 433
  443 211 211
  444 83 83
  445 26 26
  446 10 10
  447 5 5
  448 5 5
  449 4 4
  450 5 5
  451 5 5
  452 4 4
  453 4 4
  454 7 7
  455 64 64
  456 409 409
  457 278 278
  458 141 141
  459 52 52
  460 17 17
  461 4 4
  462 1 1
//