MassBank Record: MSBNK-Kazusa-KZ000204
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
//
