MassBank Record: JP000156



 SANGGENON-C; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000156
RECORD_TITLE: SANGGENON-C; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUKUSHIMA K, INST. FOR CHEMOBIODYNAMICS, CHIBA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: SANGGENON-C CH$COMPOUND_CLASS: N/A CH$FORMULA: C40H36O12 CH$EXACT_MASS: 708.22068 CH$SMILES: c(c7)c(C12O)c(cc7O)OC(C(=O)c(c(O)3)c(cc(O)c3C(C4C(=O)c(c6)c(O)cc(c6)O)C=C(C)CC4c(c5O)ccc(O)c5)O2)1CC=C(C)C CH$IUPAC: InChI=1S/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03e9-4943100000-f12ea79c868cf8f3abbe PK$NUM_PEAK: 154 PK$PEAK: m/z int. rel.int. 65 23.94 239 66 18.91 189 75 7.01 70 77 8.22 82 79 1.41 14 80 5.12 51 81 65.41 654 82 95.18 952 89 7.12 71 90 1.48 15 92 6.51 65 94 11.14 111 101 2.05 21 103 4.04 40 105 1.59 16 106 1.48 15 107 3.71 37 110 99.99 999 111 10.38 104 115 10.82 108 117 2.78 28 122 10.93 109 123 71.72 717 124 1.72 17 126 16.68 167 127 2.26 23 128 5.36 54 129 2.7 27 134 12.9 129 135 10.27 103 136 3.55 36 137 13.96 140 141 1.67 17 143 3.3 33 144 2.01 20 146 1.69 17 147 23.34 233 148 3.93 39 150 30.11 301 151 3.5 35 152 4.75 48 153 7.19 72 155 2.05 21 156 1.44 14 160 4.55 46 161 42.98 430 162 14.06 141 163 27.41 274 164 5.52 55 173 2.56 26 174 1.94 19 175 7.9 79 176 13.18 132 177 11.5 115 178 17.53 175 179 1.04 10 184 2.4 24 187 1.39 14 190 2.22 22 191 2.5 25 194 2.29 23 197 10.69 107 198 1.47 15 199 1.4 14 200 1.45 15 201 3.71 37 203 18.8 188 204 1.8 18 210 2.5 25 211 49.74 497 212 37.6 376 213 15.71 157 214 2.03 20 217 4.77 48 218 10.56 106 219 1.61 16 225 3.42 34 226 1.49 15 227 3.26 33 229 6.35 64 230 1.64 16 237 2.87 29 239 5 50 241 3.01 30 244 1.75 18 245 5.03 50 251 1.28 13 253 1.87 19 255 38.71 387 256 30.79 308 257 4.06 41 258 2.66 27 265 1.12 11 269 2.77 28 274 1.02 10 279 1.12 11 280 3.19 32 285 9.83 98 286 1.78 18 287 1.53 15 302 6.61 66 303 3.49 35 305 12.38 124 306 1.9 19 311 1 10 314 2.9 29 315 8.42 84 317 3.34 33 319 8.25 83 320 8.84 88 321 2.29 23 322 1.29 13 323 2.41 24 324 2.56 26 325 1.41 14 326 2.15 22 327 8.48 85 329 1.33 13 333 3.15 32 335 1.94 19 338 1.14 11 339 2.98 30 353 52.56 526 354 11.18 112 355 3.74 37 365 4.67 47 366 1.39 14 368 19.28 193 369 4.71 47 370 9.24 92 371 1.33 13 381 1.64 16 383 1.9 19 388 1.61 16 389 1.12 11 395 1.11 11 401 1.53 15 404 1.9 19 405 2.11 21 419 1.78 18 421 25.53 255 422 8.02 80 423 2.34 23 436 11.52 115 437 3.34 33 438 2.6 26 439 1.08 11 464 1.77 18 516 0.88 9 578 0.58 6 579 0.52 5 580 0.98 10 581 0.95 10 691 0.32 3 //