MassBank Record: PR010133



 3',5'-Cyclic AMP; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //