MassBank Record: MSBNK-RIKEN-PR010163
ACCESSION: MSBNK-RIKEN-PR010163
RECORD_TITLE: Guanosine; GC-EI-TOF; MS; 5 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$NAME: Guanosine
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2746.2
AC$CHROMATOGRAPHY: RETENTION_TIME 644.893 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C25H53N5O5Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 643.2893
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9421000000-b2b15c03b8206196f59f
PK$NUM_PEAK: 217
PK$PEAK: m/z int. rel.int.
60 3 3
61 6 6
63 1 1
65 1 1
66 3 3
67 2 2
69 8 8
70 6 6
71 6 6
72 17 17
73 999 999
74 91 91
75 65 65
76 5 5
77 8 8
78 1 1
79 8 8
80 1 1
81 2 2
83 2 2
84 9 9
85 6 6
86 3 3
87 4 4
88 1 1
89 10 10
90 1 1
91 1 1
92 1 1
95 1 1
97 4 4
98 2 2
99 17 17
100 9 9
101 14 14
102 3 3
103 102 102
104 10 10
105 5 5
107 1 1
109 1 1
110 2 2
111 6 6
112 1 1
113 6 6
114 1 1
115 23 23
116 7 7
117 20 20
118 3 3
119 3 3
123 1 1
124 1 1
125 2 2
126 2 2
127 3 3
128 1 1
129 26 26
130 5 5
131 19 19
132 5 5
133 21 21
134 6 6
135 2 2
136 1 1
138 2 2
139 1 1
140 1 1
141 5 5
142 3 3
143 12 12
144 3 3
145 4 4
146 8 8
147 88 88
148 14 14
149 10 10
150 2 2
151 1 1
152 1 1
153 3 3
154 1 1
155 2 2
156 1 1
157 9 9
158 7 7
159 2 2
160 1 1
162 1 1
163 1 1
164 1 1
165 3 3
166 9 9
167 2 2
168 1 1
169 17 17
170 3 3
171 10 10
172 3 3
173 3 3
174 1 1
175 1 1
176 1 1
177 1 1
178 1 1
179 1 1
180 2 2
181 1 1
182 1 1
183 1 1
187 1 1
189 7 7
190 5 5
191 4 4
192 2 2
193 1 1
194 1 1
197 1 1
198 1 1
203 1 1
204 1 1
205 2 2
206 2 2
207 2 2
208 5 5
209 1 1
210 1 1
215 1 1
217 27 27
218 6 6
219 4 4
220 1 1
221 1 1
222 2 2
223 1 1
229 1 1
230 31 31
231 9 9
232 4 4
233 1 1
234 1 1
236 1 1
237 1 1
238 2 2
239 1 1
243 19 19
244 5 5
245 57 57
246 13 13
247 5 5
248 1 1
251 2 2
252 1 1
257 1 1
258 1 1
259 10 10
260 2 2
261 1 1
262 1 1
264 14 14
265 4 4
266 2 2
278 4 4
279 4 4
280 54 54
281 15 15
282 6 6
283 1 1
292 1 1
293 1 1
294 9 9
295 12 12
296 16 16
297 4 4
298 1 1
306 1 1
308 3 3
309 1 1
320 2 2
321 1 1
322 1 1
323 4 4
324 71 71
325 19 19
326 7 7
327 1 1
348 2 2
351 1 1
352 5 5
353 2 2
354 1 1
366 1 1
367 3 3
368 17 17
369 6 6
370 3 3
393 1 1
394 7 7
395 3 3
396 1 1
409 2 2
410 9 9
411 3 3
412 1 1
422 1 1
423 1 1
425 2 2
627 3 3
628 6 6
629 4 4
630 2 2
631 1 1
642 4 4
643 8 8
644 5 5
645 3 3
646 1 1
//
system version 2.2.8-SNAPSHOT