ACCESSION: MSBNK-Kazusa-KZ000204
RECORD_TITLE: D-Glucuronic acid; GC-EI-TOF; MS; 5 TMS; BP:160
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01503_P000147

CH$NAME: D-Glucuronic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₀O₇
CH$EXACT_MASS: 194.04265
CH$SMILES: OC(=O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(O)1
CH$IUPAC: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1
CH$LINK: CAS 6556-12-3
CH$LINK: KEGG C00191
CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N
CH$LINK: COMPTOX DTXSID50894097

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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1912.0
AC$CHROMATOGRAPHY: RETENTION_TIME 888.463 sec

MS$FOCUSED_ION: BASE_PEAK 160
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-03ea-0923000000-4fce316eb9decad52ef3
PK$NUM_PEAK: 287
PK$PEAK: m/z int. rel.int.
  82 10 10
  83 9 9
  84 7 7
  85 11 11
  86 16 16
  87 11 11
  88 5 5
  89 147 147
  90 12 12
  91 5 5
  94 1 1
  97 1 1
  98 3 3
  99 10 10
  100 24 24
  101 20 20
  102 34 34
  103 96 96
  104 10 10
  105 57 57
  106 6 6
  107 2 2
  110 1 1
  111 2 2
  112 3 3
  113 4 4
  114 18 18
  115 11 11
  116 6 6
  117 13 13
  118 3 3
  119 6 6
  120 1 1
  126 3 3
  127 6 6
  128 9 9
  129 40 40
  130 22 22
  131 40 40
  132 9 9
  133 77 77
  134 12 12
  135 7 7
  136 1 1
  138 1 1
  139 1 1
  140 2 2
  141 3 3
  142 11 11
  143 139 139
  144 22 22
  145 22 22
  146 5 5
  147 694 694
  148 105 105
  149 64 64
  150 8 8
  151 4 4
  152 2 2
  153 1 1
  154 3 3
  155 3 3
  156 3 3
  157 9 9
  158 18 18
  159 9 9
  160 999 999
  161 127 127
  162 39 39
  163 23 23
  164 4 4
  165 2 2
  166 1 1
  168 3 3
  169 1 1
  170 3 3
  171 42 42
  172 20 20
  173 12 12
  174 8 8
  175 9 9
  176 2 2
  177 5 5
  178 2 2
  179 1 1
  182 3 3
  183 2 2
  184 1 1
  185 2 2
  186 5 5
  187 3 3
  188 3 3
  189 155 155
  190 40 40
  191 64 64
  192 13 13
  193 7 7
  194 2 2
  195 1 1
  196 1 1
  197 1 1
  198 3 3
  199 1 1
  200 4 4
  201 5 5
  202 3 3
  203 7 7
  204 69 69
  205 24 24
  206 9 9
  207 20 20
  208 5 5
  209 3 3
  210 4 4
  211 1 1
  212 1 1
  213 1 1
  214 6 6
  215 13 13
  216 39 39
  217 159 159
  218 36 36
  219 101 101
  220 22 22
  221 48 48
  222 11 11
  223 6 6
  224 2 2
  225 1 1
  226 1 1
  227 1 1
  228 5 5
  229 6 6
  230 6 6
  231 23 23
  232 10 10
  233 9 9
  234 7 7
  235 3 3
  236 1 1
  237 1 1
  238 1 1
  239 1 1
  240 3 3
  241 2 2
  242 3 3
  243 3 3
  244 4 4
  245 8 8
  246 7 7
  247 3 3
  248 3 3
  249 1 1
  250 1 1
  251 1 1
  252 1 1
  253 1 1
  254 1 1
  255 1 1
  256 7 7
  257 3 3
  258 2 2
  259 1 1
  260 1 1
  261 3 3
  262 8 8
  263 5 5
  264 2 2
  265 2 2
  266 1 1
  268 1 1
  269 1 1
  270 1 1
  271 1 1
  272 2 2
  273 2 2
  274 32 32
  275 9 9
  276 4 4
  277 23 23
  278 9 9
  279 7 7
  280 2 2
  281 1 1
  282 2 2
  283 1 1
  284 1 1
  285 1 1
  286 2 2
  287 1 1
  288 1 1
  289 1 1
  290 2 2
  291 13 13
  292 52 52
  293 23 23
  294 10 10
  295 3 3
  296 1 1
  302 6 6
  303 5 5
  304 4 4
  305 49 49
  306 27 27
  307 13 13
  308 4 4
  309 1 1
  314 16 16
  315 7 7
  316 3 3
  317 2 2
  318 5 5
  319 5 5
  320 2 2
  321 3 3
  322 1 1
  323 1 1
  328 1 1
  330 1 1
  331 1 1
  332 6 6
  333 562 562
  334 187 187
  335 101 101
  336 23 23
  337 6 6
  338 1 1
  344 2 2
  345 8 8
  346 3 3
  347 4 4
  348 2 2
  349 1 1
  351 3 3
  352 1 1
  353 1 1
  356 1 1
  357 1 1
  358 1 1
  360 1 1
  361 5 5
  362 2 2
  363 1 1
  364 76 76
  365 25 25
  366 12 12
  367 5 5
  368 2 2
  369 1 1
  372 1 1
  373 1 1
  374 1 1
  376 3 3
  377 1 1
  379 5 5
  380 2 2
  381 1 1
  388 12 12
  389 5 5
  390 2 2
  391 1 1
  392 1 1
  393 16 16
  394 8 8
  395 5 5
  396 2 2
  397 1 1
  404 1 1
  405 1 1
  407 1 1
  408 2 2
  409 1 1
  418 4 4
  419 10 10
  420 5 5
  421 3 3
  422 2 2
  423 41 41
  424 16 16
  425 9 9
  426 2 2
  435 1 1
  446 1 1
  447 1 1
  450 1 1
  451 1 1
  478 1 1
//