MassBank Record: MSBNK-Kazusa-KZ000013
ACCESSION: MSBNK-Kazusa-KZ000013
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_01430_P000081
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 2798.1
AC$CHROMATOGRAPHY: RETENTION_TIME 1190.61 sec
MS$FOCUSED_ION: BASE_PEAK 236
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0f7w-1890000000-5c70a5423faa5e8eceaf
PK$NUM_PEAK: 276
PK$PEAK: m/z int. rel.int.
82 10 10
83 25 25
84 122 122
85 98 98
86 36 36
87 34 34
88 17 17
89 77 77
90 9 9
91 6 6
92 9 9
93 8 8
94 7 7
95 19 19
96 13 13
97 42 42
98 22 22
99 109 109
100 40 40
101 145 145
102 28 28
103 781 781
104 81 81
105 43 43
106 8 8
107 6 6
108 14 14
109 35 35
110 15 15
111 110 110
112 19 19
113 66 66
114 15 15
115 156 156
116 84 84
117 145 145
118 21 21
119 38 38
120 8 8
121 8 8
122 8 8
123 19 19
124 12 12
125 19 19
126 16 16
127 35 35
128 10 10
129 224 224
130 38 38
131 108 108
132 27 27
133 189 189
134 30 30
135 37 37
136 17 17
137 23 23
138 38 38
139 10 10
140 14 14
141 30 30
142 34 34
143 102 102
144 31 31
145 42 42
146 12 12
147 623 623
148 107 107
149 92 92
150 24 24
151 22 22
152 10 10
153 33 33
154 8 8
155 14 14
156 13 13
157 50 50
158 15 15
159 12 12
160 5 5
161 8 8
162 23 23
163 12 12
164 34 34
165 153 153
166 35 35
167 14 14
168 10 10
169 134 134
170 23 23
171 21 21
172 6 6
173 9 9
174 5 5
175 11 11
176 31 31
177 19 19
178 12 12
179 16 16
180 29 29
181 14 14
182 5 5
183 5 5
184 3 3
185 4 4
186 2 2
187 6 6
188 3 3
189 63 63
190 25 25
191 55 55
192 480 480
193 81 81
194 25 25
195 5 5
196 3 3
197 2 2
198 2 2
199 2 2
200 2 2
201 5 5
202 4 4
203 9 9
204 26 26
205 20 20
206 114 114
207 86 86
208 243 243
209 50 50
210 14 14
211 3 3
212 1 1
213 1 1
214 2 2
215 19 19
216 13 13
217 420 420
218 96 96
219 56 56
220 25 25
221 12 12
222 6 6
223 6 6
224 2 2
225 2 2
226 1 1
227 1 1
228 2 2
229 17 17
230 873 873
231 213 213
232 102 102
233 21 21
234 21 21
235 13 13
236 999 999
237 186 186
238 55 55
239 11 11
240 2 2
241 2 2
242 3 3
243 231 231
244 58 58
245 507 507
246 117 117
247 53 53
248 17 17
249 7 7
250 7 7
251 4 4
252 2 2
253 1 1
257 19 19
258 55 55
259 112 112
260 31 31
261 12 12
262 12 12
263 8 8
264 85 85
265 27 27
266 19 19
267 4 4
268 1 1
273 1 1
274 2 2
275 1 1
276 3 3
277 4 4
278 34 34
279 62 62
280 128 128
281 34 34
282 14 14
283 2 2
284 1 1
286 4 4
287 1 1
288 2 2
289 1 1
290 5 5
291 8 8
292 8 8
293 6 6
294 6 6
295 2 2
296 2 2
302 1 1
303 1 1
304 4 4
305 5 5
306 68 68
307 20 20
308 16 16
309 7 7
310 2 2
311 1 1
317 1 1
318 3 3
319 4 4
320 18 18
321 12 12
322 89 89
323 25 25
324 10 10
325 2 2
331 2 2
332 3 3
333 5 5
334 37 37
335 11 11
336 6 6
337 26 26
338 10 10
339 4 4
340 1 1
346 5 5
347 4 4
348 38 38
349 12 12
350 7 7
351 2 2
352 1 1
360 4 4
361 2 2
362 8 8
363 2 2
364 1 1
374 1 1
375 6 6
376 11 11
377 4 4
378 4 4
379 1 1
380 1 1
392 2 2
393 2 2
394 9 9
395 3 3
396 2 2
408 2 2
409 1 1
422 1 1
424 1 1
436 1 1
437 1 1
449 1 1
450 6 6
451 5 5
452 8 8
453 3 3
454 1 1
464 1 1
465 6 6
466 4 4
467 2 2
//
