MassBank Record: MSBNK-RIKEN-PR010162
ACCESSION: MSBNK-RIKEN-PR010162
RECORD_TITLE: Guanosine; GC-EI-TOF; MS; 4 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$CHROMATOGRAPHY: RETENTION_INDEX 2555.6
AC$CHROMATOGRAPHY: RETENTION_TIME 612.949 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C22H45N5O5Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 571.24978
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9440000000-361092fc2dc5206fe655
PK$NUM_PEAK: 186
PK$PEAK: m/z int. rel.int.
60 4 4
61 9 9
62 1 1
65 2 2
66 4 4
67 4 4
69 8 8
70 7 7
71 5 5
72 20 20
73 999 999
74 91 91
75 69 69
76 5 5
77 10 10
79 4 4
81 4 4
83 2 2
84 13 13
85 11 11
86 5 5
87 4 4
88 1 1
89 11 11
90 1 1
91 1 1
92 1 1
94 1 1
95 2 2
97 6 6
98 2 2
99 9 9
100 4 4
101 18 18
102 4 4
103 98 98
104 9 9
105 6 6
107 1 1
109 1 1
110 7 7
111 12 12
112 3 3
113 9 9
114 2 2
115 15 15
116 9 9
117 21 21
118 3 3
119 6 6
120 1 1
123 1 1
124 2 2
125 3 3
126 2 2
127 4 4
128 1 1
129 30 30
130 3 3
131 15 15
132 3 3
133 28 28
134 5 5
135 4 4
136 1 1
137 1 1
138 6 6
139 2 2
140 2 2
141 4 4
142 4 4
143 15 15
144 3 3
145 7 7
146 1 1
147 78 78
148 13 13
149 11 11
150 3 3
151 1 1
152 1 1
153 3 3
154 1 1
155 2 2
156 1 1
157 6 6
158 2 2
159 2 2
161 1 1
162 1 1
163 3 3
164 2 2
165 3 3
166 8 8
167 2 2
168 2 2
169 17 17
170 3 3
171 4 4
172 1 1
173 2 2
175 1 1
176 1 1
177 3 3
178 1 1
179 1 1
180 1 1
181 1 1
183 1 1
189 8 8
190 2 2
191 3 3
192 3 3
193 57 57
194 8 8
195 3 3
203 1 1
204 2 2
205 3 3
206 3 3
207 10 10
208 6 6
209 23 23
210 4 4
211 1 1
215 4 4
216 2 2
217 116 116
218 25 25
219 12 12
220 2 2
221 2 2
222 1 1
229 2 2
230 92 92
231 22 22
232 9 9
233 3 3
234 1 1
235 1 1
236 1 1
237 33 33
238 5 5
239 2 2
243 24 24
244 6 6
245 59 59
246 12 12
247 6 6
248 1 1
249 1 1
257 2 2
258 5 5
259 33 33
260 9 9
261 3 3
265 7 7
266 2 2
267 2 2
279 2 2
280 12 12
281 42 42
282 10 10
283 4 4
307 9 9
308 2 2
309 3 3
310 1 1
320 1 1
321 1 1
322 1 1
323 6 6
324 1 1
335 2 2
338 1 1
339 1 1
347 1 1
348 6 6
349 2 2
363 1 1
395 2 2
453 1 1
540 2 2
541 5 5
542 2 2
543 1 1
//
system version 2.2.8-SNAPSHOT