MassBank Record: MSBNK-Kazusa-KZ000062
ACCESSION: MSBNK-Kazusa-KZ000062
RECORD_TITLE: Isopentenyladenosine; GC-EI-TOF; MS; 3 TMS; BP:160
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_01610_P000100
CH$NAME: N-6-(delta-2-Isopentenyl)adenosine
CH$NAME: Isopentenyladenosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H21N5O4
CH$EXACT_MASS: 335.15935
CH$SMILES: CC(C)=CCNc(n3)c(n2)c(nc3)n(c2)C(O1)C(O)C(O)C(CO)1
CH$IUPAC: InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
CH$LINK: CAS
7724-76-7
CH$LINK: INCHIKEY
USVMJSALORZVDV-SDBHATRESA-N
CH$LINK: COMPTOX
DTXSID1057828
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 3241.3
AC$CHROMATOGRAPHY: RETENTION_TIME 1316.76 sec
MS$FOCUSED_ION: BASE_PEAK 160
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0w30-0960000000-0035fb65e8672a86a8e4
PK$NUM_PEAK: 269
PK$PEAK: m/z int. rel.int.
82 27 27
83 20 20
84 115 115
85 41 41
86 15 15
87 28 28
88 12 12
89 77 77
90 10 10
91 10 10
92 31 31
93 46 46
94 40 40
95 16 16
96 6 6
97 37 37
98 12 12
99 50 50
100 14 14
101 136 136
102 25 25
103 852 852
104 90 90
105 58 58
106 22 22
107 15 15
108 79 79
109 21 21
110 5 5
111 34 34
112 9 9
113 53 53
114 11 11
115 186 186
116 59 59
117 137 137
118 27 27
119 133 133
120 52 52
121 34 34
122 6 6
123 8 8
124 4 4
125 10 10
126 8 8
127 28 28
128 7 7
129 199 199
130 29 29
131 104 104
132 31 31
133 187 187
134 51 51
135 236 236
136 171 171
137 18 18
138 8 8
139 4 4
140 8 8
141 27 27
142 21 21
143 94 94
144 25 25
145 45 45
146 25 25
147 540 540
148 163 163
149 82 82
150 17 17
151 12 12
152 6 6
153 29 29
154 7 7
155 12 12
156 10 10
157 50 50
158 22 22
159 50 50
160 999 999
161 137 137
162 24 24
163 16 16
164 152 152
165 30 30
166 9 9
167 7 7
168 5 5
169 133 133
170 24 24
171 32 32
172 20 20
173 34 34
174 30 30
175 49 49
176 42 42
177 15 15
178 10 10
179 8 8
180 5 5
181 4 4
182 2 2
183 3 3
184 4 4
185 81 81
186 42 42
187 32 32
188 347 347
189 104 104
190 22 22
191 34 34
192 54 54
193 15 15
194 10 10
195 4 4
196 3 3
197 3 3
198 5 5
199 4 4
200 14 14
201 15 15
202 367 367
203 527 527
204 222 222
205 38 38
206 45 45
207 26 26
208 32 32
209 8 8
210 4 4
211 2 2
212 2 2
213 2 2
214 17 17
215 18 18
216 12 12
217 296 296
218 72 72
219 44 44
220 20 20
221 10 10
222 5 5
223 3 3
224 2 2
225 1 1
226 2 2
227 2 2
228 4 4
229 17 17
230 536 536
231 145 145
232 789 789
233 129 129
234 52 52
235 11 11
236 8 8
237 2 2
238 1 1
239 1 1
241 1 1
242 4 4
243 157 157
244 44 44
245 302 302
246 69 69
247 33 33
248 12 12
249 8 8
250 20 20
251 5 5
252 2 2
255 1 1
256 1 1
257 14 14
258 22 22
259 109 109
260 55 55
261 20 20
262 31 31
263 7 7
264 4 4
265 5 5
266 4 4
267 1 1
268 1 1
272 1 1
273 3 3
274 73 73
275 35 35
276 64 64
277 15 15
278 6 6
279 1 1
280 1 1
282 1 1
285 1 1
286 2 2
287 2 2
288 6 6
289 4 4
290 13 13
291 8 8
292 3 3
293 1 1
294 1 1
299 2 2
300 1 1
301 2 2
302 22 22
303 6 6
304 7 7
305 3 3
306 4 4
307 2 2
308 1 1
314 1 1
315 1 1
316 6 6
317 7 7
318 47 47
319 13 13
320 10 10
321 3 3
322 5 5
323 1 1
330 6 6
331 2 2
332 2 2
333 15 15
334 5 5
335 1 1
336 1 1
342 1 1
344 1 1
346 2 2
347 2 2
348 12 12
349 4 4
350 3 3
351 1 1
356 1 1
358 1 1
362 1 1
371 1 1
372 4 4
373 1 1
374 1 1
376 1 1
377 1 1
378 1 1
380 1 1
388 1 1
389 1 1
390 4 4
391 2 2
392 1 1
418 2 2
419 2 2
420 5 5
421 2 2
422 1 1
446 3 3
447 1 1
448 4 4
449 1 1
461 1 1
462 1 1
463 1 1
483 1 1
484 1 1
//
