MassBank Record: MSBNK-Osaka_Univ-OUF00261
ACCESSION: MSBNK-Osaka_Univ-OUF00261
RECORD_TITLE: Guanosine; GC-EI-TOF; MS; n TMS; RT:1021.540 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$NAME: Guanosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C10H13N5O5
CH$EXACT_MASS: 283.091669
CH$SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
CH$IUPAC: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
CH$LINK: CAS
118-00-3
CH$LINK: CHEBI
16750
CH$LINK: CHEMSPIDER
6544
CH$LINK: COMPTOX
DTXSID00893055
CH$LINK: INCHIKEY
NYHBQMYGNKIUIF-UUOKFMHZSA-N
CH$LINK: KAPPAVIEW
KPC00589
CH$LINK: KEGG
C00387
CH$LINK: KNAPSACK
C00019679
CH$LINK: NIKKAJI
J10.076E
CH$LINK: PUBCHEM
CID:135398635
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$CHROMATOGRAPHY: RETENTION_INDEX 2756.301
AC$CHROMATOGRAPHY: RETENTION_TIME 1021.540 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0feb-0963000000-c91b93f300b50fbc99c1
PK$NUM_PEAK: 312
PK$PEAK: m/z int. rel.int.
85 46 46
86 28 28
87 36 36
88 14 14
89 92 92
90 8 8
91 9 9
92 7 7
93 6 6
94 7 7
95 14 14
96 8 8
97 61 61
98 28 28
99 152 152
100 76 76
101 128 128
102 35 35
103 999 999
104 95 95
105 55 55
106 7 7
107 8 8
108 3 3
109 4 4
110 18 18
111 53 53
112 17 17
113 64 64
114 18 18
115 244 244
116 71 71
117 216 216
118 32 32
119 37 37
120 8 8
121 2 2
122 7 7
123 6 6
124 12 12
125 23 23
126 28 28
127 37 37
128 15 15
129 277 277
130 58 58
131 186 186
132 57 57
133 220 220
134 69 69
135 30 30
136 12 12
137 7 7
138 25 25
139 14 14
140 15 15
141 59 59
142 36 36
143 135 135
144 40 40
145 52 52
146 103 103
147 912 912
148 158 158
149 111 111
150 21 21
151 15 15
152 14 14
153 44 44
154 14 14
155 24 24
156 21 21
157 93 93
158 77 77
159 28 28
160 13 13
161 9 9
162 11 11
163 10 10
164 14 14
165 38 38
166 105 105
167 27 27
168 19 19
169 220 220
170 44 44
171 115 115
172 31 31
173 38 38
174 14 14
175 10 10
176 13 13
177 10 10
178 10 10
179 12 12
180 28 28
181 14 14
182 19 19
183 11 11
184 7 7
185 4 4
186 3 3
187 18 18
188 12 12
189 73 73
190 55 55
191 53 53
192 26 26
193 16 16
194 12 12
195 8 8
196 8 8
197 8 8
198 20 20
199 6 6
200 3 3
201 6 6
203 10 10
204 17 17
205 24 24
206 29 29
207 23 23
208 49 49
209 12 12
210 19 19
211 4 4
212 4 4
213 3 3
214 1 1
215 21 21
216 9 9
217 319 319
218 80 80
219 47 47
220 17 17
221 21 21
222 24 24
223 19 19
224 10 10
225 5 5
226 3 3
227 1 1
229 22 22
230 406 406
231 114 114
232 59 59
233 17 17
234 19 19
235 5 5
236 13 13
237 15 15
238 34 34
239 15 15
240 8 8
241 1 1
242 2 2
243 238 238
244 63 63
245 714 714
246 165 165
247 74 74
248 23 23
249 10 10
250 12 12
251 26 26
252 14 14
253 7 7
254 4 4
256 1 1
257 15 15
258 18 18
259 123 123
260 35 35
261 14 14
262 13 13
263 7 7
264 136 136
265 45 45
266 23 23
267 8 8
268 4 4
270 1 1
273 1 1
276 5 5
277 8 8
278 46 46
279 49 49
280 606 606
281 206 206
282 86 86
283 21 21
284 7 7
285 2 2
286 2 2
288 1 1
289 3 3
290 5 5
291 7 7
292 16 16
293 15 15
294 97 97
295 151 151
296 199 199
297 68 68
298 28 28
299 7 7
304 4 4
305 4 4
306 13 13
307 7 7
308 40 40
309 22 22
310 11 11
311 2 2
312 1 1
313 1 1
315 3 3
316 2 2
317 1 1
318 4 4
319 5 5
320 22 22
321 15 15
322 15 15
323 41 41
324 873 873
325 264 264
326 105 105
327 27 27
328 6 6
333 4 4
334 6 6
335 6 6
336 13 13
337 7 7
338 7 7
339 2 2
347 1 1
348 26 26
349 9 9
350 13 13
351 12 12
352 68 68
353 39 39
354 20 20
355 9 9
358 1 1
361 1 1
362 2 2
363 2 2
364 3 3
365 4 4
366 19 19
367 40 40
368 217 217
369 91 91
370 39 39
371 12 12
372 1 1
374 1 1
378 2 2
380 4 4
381 3 3
382 5 5
383 3 3
384 1 1
390 1 1
392 1 1
393 10 10
394 78 78
395 47 47
396 24 24
397 10 10
398 2 2
399 1 1
401 1 1
408 8 8
409 27 27
410 105 105
411 55 55
412 26 26
413 8 8
414 1 1
415 2 2
422 23 23
423 13 13
424 8 8
425 26 26
426 11 11
427 6 6
434 1 1
436 2 2
437 2 2
445 1 1
448 2 2
449 2 2
450 1 1
451 1 1
452 1 1
464 3 3
465 2 2
466 1 1
468 1 1
477 1 1
481 2 2
482 7 7
483 4 4
484 1 1
485 1 1
487 1 1
492 1 1
496 2 2
//
system version 2.2.8-SNAPSHOT