MassBank Record: JP000158



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

ACCESSION: JP000158
RECORD_TITLE: SANGGENON-C; CI-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$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0w29-0930000000-1ed884e83982ae62908d PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 110 25.31 253 111 57.56 576 112 4.29 43 123 5.2 52 126 2.29 23 127 3.15 32 135 3.22 32 137 2.28 23 139 3.1 31 149 2.5 25 150 24.1 241 151 99.99 999 152 9.72 97 153 13.1 131 161 2.29 23 163 1.42 14 165 2.23 22 178 3.29 33 179 2.23 22 191 20.16 202 192 2.37 24 194 3.15 32 195 6.08 61 211 2.29 23 212 15.3 153 213 29.64 296 214 4.43 44 217 1.28 13 218 4.22 42 219 12.51 125 220 9.72 97 221 3.07 31 229 2.07 21 246 3.08 31 247 3.09 31 255 4.29 43 256 4.27 43 257 8.44 84 258 2.08 21 259 2.1 21 261 2.12 21 303 4.85 49 369 3.83 38 371 2.45 25 437 1.86 19 //