MassBank Record: MSBNK-Kazusa-KZ000106
ACCESSION: MSBNK-Kazusa-KZ000106
RECORD_TITLE: Adenosine; GC-EI-TOF; MS; 4 TMS; BP:236
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_05403_P000047
CH$NAME: Adenosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C10H13N5O4
CH$EXACT_MASS: 267.09675
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
CH$IUPAC: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
CH$LINK: CAS
58-61-7
CH$LINK: KEGG
C00212
CH$LINK: INCHIKEY
OIRDTQYFTABQOQ-KQYNXXCUSA-N
CH$LINK: COMPTOX
DTXSID1022558
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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1188.46 sec
MS$FOCUSED_ION: BASE_PEAK 236
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-001v-0691000000-8f88854b7d5adec5c558
PK$NUM_PEAK: 285
PK$PEAK: m/z int. rel.int.
82 4 4
83 10 10
84 67 67
85 56 56
86 19 19
87 16 16
88 8 8
89 43 43
90 4 4
91 2 2
92 2 2
93 3 3
94 3 3
95 8 8
96 5 5
97 22 22
98 13 13
99 60 60
100 23 23
101 87 87
102 16 16
103 509 509
104 51 51
105 26 26
106 4 4
107 3 3
108 8 8
109 17 17
110 9 9
111 64 64
112 11 11
113 39 39
114 8 8
115 105 105
116 59 59
117 103 103
118 15 15
119 26 26
120 5 5
121 5 5
122 5 5
123 13 13
124 8 8
125 11 11
126 11 11
127 20 20
128 6 6
129 147 147
130 24 24
131 69 69
132 18 18
133 129 129
134 20 20
135 24 24
136 11 11
137 15 15
138 24 24
139 7 7
140 9 9
141 20 20
142 21 21
143 70 70
144 23 23
145 32 32
146 9 9
147 437 437
148 75 75
149 63 63
150 17 17
151 15 15
152 7 7
153 21 21
154 5 5
155 9 9
156 9 9
157 35 35
158 11 11
159 9 9
160 4 4
161 6 6
162 18 18
163 9 9
164 25 25
165 100 100
166 30 30
167 10 10
168 8 8
169 108 108
170 18 18
171 16 16
172 4 4
173 7 7
174 4 4
175 9 9
176 24 24
177 15 15
178 10 10
179 11 11
180 19 19
181 12 12
182 5 5
183 4 4
184 3 3
185 3 3
186 2 2
187 4 4
188 3 3
189 49 49
190 22 22
191 44 44
192 381 381
193 68 68
194 20 20
195 4 4
196 3 3
197 1 1
198 1 1
199 2 2
200 2 2
201 4 4
202 3 3
203 8 8
204 22 22
205 18 18
206 102 102
207 80 80
208 223 223
209 47 47
210 14 14
211 3 3
212 1 1
213 1 1
214 2 2
215 15 15
216 10 10
217 386 386
218 89 89
219 52 52
220 22 22
221 11 11
222 5 5
223 4 4
224 2 2
225 1 1
226 1 1
227 1 1
228 2 2
229 15 15
230 912 912
231 220 220
232 103 103
233 21 21
234 17 17
235 12 12
236 999 999
237 183 183
238 54 54
239 9 9
240 2 2
241 1 1
242 3 3
243 218 218
244 56 56
245 470 470
246 111 111
247 50 50
248 16 16
249 6 6
250 6 6
251 3 3
252 2 2
253 1 1
257 20 20
258 58 58
259 118 118
260 33 33
261 13 13
262 11 11
263 7 7
264 78 78
265 24 24
266 17 17
267 4 4
268 1 1
274 2 2
275 1 1
276 3 3
277 4 4
278 36 36
279 68 68
280 138 138
281 37 37
282 15 15
283 3 3
284 1 1
286 3 3
287 1 1
288 2 2
289 1 1
290 5 5
291 8 8
292 9 9
293 6 6
294 7 7
295 3 3
296 2 2
297 1 1
302 1 1
303 1 1
304 4 4
305 4 4
306 69 69
307 21 21
308 17 17
309 7 7
310 3 3
311 1 1
317 1 1
318 3 3
319 4 4
320 20 20
321 13 13
322 96 96
323 28 28
324 11 11
325 2 2
331 3 3
332 3 3
333 6 6
334 43 43
335 13 13
336 8 8
337 31 31
338 13 13
339 5 5
340 1 1
346 6 6
347 5 5
348 54 54
349 18 18
350 10 10
351 3 3
352 1 1
354 1 1
360 5 5
361 2 2
362 11 11
363 3 3
364 2 2
365 1 1
374 1 1
375 9 9
376 15 15
377 5 5
378 5 5
379 2 2
380 1 1
392 3 3
393 2 2
394 12 12
395 5 5
396 3 3
397 1 1
408 4 4
409 2 2
410 1 1
422 1 1
423 1 1
424 2 2
425 1 1
436 2 2
437 1 1
438 1 1
449 1 1
450 11 11
451 7 7
452 14 14
453 6 6
454 2 2
464 2 2
465 11 11
466 7 7
467 4 4
468 1 1
482 1 1
//
