MassBank Record: MSBNK-RIKEN-PR010133
ACCESSION: MSBNK-RIKEN-PR010133
RECORD_TITLE: 3',5'-Cyclic AMP; GC-EI-TOF; MS; 3 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$NAME: Adenosine 3':5'-cyclicmonophosphate
CH$NAME: Cyclic AMP
CH$NAME: cAMP
CH$NAME: Cyclic adenylic acid
CH$NAME: Adenosine 3',5'-phosphate
CH$NAME: 3',5'-Cyclic AMP
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C10H12N5O6P
CH$EXACT_MASS: 329.05252
CH$SMILES: Nc(n4)c(n3)c(nc4)n(c3)[C@H](O1)[C@H](O)[C@H](O2)[C@@H](COP(O)(=O)2)1
CH$IUPAC: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
CH$LINK: CAS
60-92-4
CH$LINK: CHEBI
17489
CH$LINK: KEGG
C00575
CH$LINK: NIKKAJI
J4.811I
CH$LINK: PUBCHEM 3854
CH$LINK: INCHIKEY
IVOMOUWHDPKRLL-KQYNXXCUSA-N
CH$LINK: COMPTOX
DTXSID8040436
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$CHROMATOGRAPHY: RETENTION_INDEX 3099.3
AC$CHROMATOGRAPHY: RETENTION_TIME 660.268 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C19H36N5O6PSi3
MS$FOCUSED_ION: DERIVATIVE_MASS 545.1711
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9761000000-ed8f1fea0ef2e7b43ff8
PK$NUM_PEAK: 254
PK$PEAK: m/z int. rel.int.
60 9 9
61 15 15
62 1 1
63 2 2
65 6 6
66 4 4
67 8 8
68 9 9
69 13 13
70 14 14
71 13 13
72 30 30
73 999 999
74 111 111
75 114 114
76 10 10
77 51 51
78 5 5
79 16 16
80 5 5
81 32 32
82 6 6
83 9 9
84 56 56
85 36 36
86 12 12
87 7 7
88 3 3
89 11 11
91 2 2
92 2 2
93 5 5
94 4 4
95 7 7
96 6 6
97 39 39
98 10 10
99 37 37
100 10 10
101 32 32
102 4 4
103 13 13
104 1 1
105 4 4
106 4 4
107 12 12
108 5 5
109 24 24
110 6 6
111 37 37
112 7 7
113 8 8
114 1 1
115 8 8
116 10 10
117 10 10
118 2 2
119 13 13
120 4 4
121 22 22
122 5 5
123 16 16
124 4 4
125 21 21
126 4 4
127 10 10
128 3 3
129 25 25
130 5 5
131 5 5
132 2 2
133 65 65
134 11 11
135 32 32
136 11 11
137 39 39
138 16 16
139 9 9
140 54 54
141 11 11
142 28 28
143 24 24
144 4 4
145 4 4
146 1 1
147 27 27
148 5 5
149 8 8
150 5 5
151 11 11
152 3 3
153 29 29
154 5 5
155 30 30
156 3 3
157 3 3
158 4 4
159 2 2
160 1 1
161 2 2
162 8 8
163 5 5
164 9 9
165 65 65
166 13 13
167 8 8
168 6 6
169 88 88
170 12 12
171 18 18
172 3 3
173 2 2
174 2 2
175 1 1
176 12 12
177 5 5
178 5 5
179 12 12
180 9 9
181 18 18
182 3 3
183 8 8
184 1 1
185 2 2
186 3 3
187 1 1
189 1 1
190 3 3
191 11 11
192 195 195
193 39 39
194 10 10
195 13 13
196 4 4
197 6 6
199 1 1
202 2 2
203 1 1
204 6 6
205 9 9
206 45 45
207 40 40
208 167 167
209 35 35
210 11 11
211 160 160
212 29 29
213 16 16
214 5 5
216 1 1
217 3 3
218 3 3
219 2 2
220 52 52
221 10 10
222 5 5
225 29 29
226 5 5
227 31 31
228 5 5
229 4 4
230 1 1
231 2 2
232 2 2
233 4 4
234 4 4
235 4 4
236 331 331
237 57 57
238 15 15
239 2 2
241 1 1
242 1 1
243 54 54
244 10 10
245 5 5
246 4 4
247 1 1
249 2 2
251 1 1
252 1 1
257 3 3
258 8 8
259 1 1
260 2 2
264 6 6
265 2 2
268 1 1
270 1 1
272 2 2
274 1 1
277 1 1
278 6 6
279 2 2
280 4 4
281 12 12
285 1 1
286 5 5
287 3 3
288 2 2
289 1 1
290 2 2
295 3 3
303 3 3
305 1 1
306 5 5
308 1 1
309 1 1
310 51 51
311 12 12
312 4 4
321 2 2
322 21 21
323 8 8
324 3 3
325 1 1
328 1 1
330 1 1
332 1 1
334 1 1
335 1 1
336 2 2
337 45 45
338 20 20
339 6 6
340 1 1
346 1 1
348 1 1
370 1 1
375 4 4
376 1 1
377 1 1
378 14 14
379 4 4
380 2 2
383 1 1
393 1 1
398 1 1
442 2 2
455 4 4
456 1 1
457 1 1
529 7 7
530 26 26
531 11 11
532 4 4
533 1 1
544 2 2
545 1 1
595 1 1
644 1 1
746 1 1
756 1 1
796 1 1
//
