MassBank Record: JP000168



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

ACCESSION: JP000168
RECORD_TITLE: KUWANON-G; 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$NAME: KUWANON-G CH$COMPOUND_CLASS: N/A CH$FORMULA: C40H36O11 CH$EXACT_MASS: 692.22576 CH$SMILES: c(c6)(cc(c(c6)C(C(C1(c(c5)c(O)cc(O)c5)[H])([H])C(c(c32)c(cc(c2C(C(=C(c(c4)c(O)cc(O)c4)O3)CC=C(C)C)=O)O)O)C=C(C)C1)=O)O)O CH$IUPAC: InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
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$SPLASH: splash10-0ik9-7932000000-d1fcc8d92623ba859276 PK$NUM_PEAK: 160 PK$PEAK: m/z int. rel.int. 50 11.65 117 51 21.45 215 52 8.56 86 53 22.11 221 54 19.07 191 55 4.24 42 56 11.84 118 58 9.19 92 59 5.84 58 60 9.05 91 61 3.76 38 62 6.07 61 63 18.45 185 64 15.41 154 65 12.94 129 66 5.2 52 68 5.66 57 69 2.2 22 70 1.72 17 72 2.62 26 73 15.07 151 74 5.39 54 75 2.56 26 76 4.63 46 77 15.84 158 78 10.6 106 79 6.77 68 80 5.76 58 81 6.41 64 82 13.91 139 87 4.6 46 89 4.98 50 90 3.59 36 91 10.85 109 92 3.65 37 94 3.92 39 98 4.13 41 100 4.74 47 101 4.16 42 102 3.95 40 103 4.6 46 104 5.95 60 105 3.65 37 106 2.23 22 107 5.61 56 108 2.67 27 110 99.99 999 114 3.15 32 115 15.81 158 116 3.67 37 120 3.57 36 121 1.78 18 122 6.18 62 123 1.12 11 128 10.85 109 129 7.06 71 130 1.4 14 131 1.29 13 132 2.58 26 134 17.33 173 135 1.5 15 136 2.92 29 137 8.92 89 138 1.28 13 139 3.89 39 141 7.47 75 143 2.67 27 144 1.48 15 146 1.85 19 147 7.06 71 148 2.45 25 149 37.58 376 150 4.25 43 152 6.53 65 153 6.77 68 156 1.66 17 157 5.16 52 158 2.91 29 160 1.88 19 161 9.65 97 162 14.32 143 163 2.67 27 164 1.45 15 165 2.59 26 171 3.11 31 174 1.99 20 176 3.02 30 177 1.82 18 179 1.09 11 181 3.83 38 184 5.5 55 185 6.55 66 186 4.32 43 187 3 30 189 2.5 25 191 1.74 17 195 1.2 12 197 5.65 57 198 3.1 31 199 2.67 27 200 4.21 42 201 2.77 28 202 3.41 34 203 7.06 71 205 2.73 27 211 8.65 87 212 4.6 46 213 12.55 126 214 2.27 23 215 1.45 15 218 1.28 13 219 1.01 10 226 17.68 177 227 7.42 74 228 8.56 86 229 3.98 40 231 1.02 10 233 1.06 11 242 1.28 13 243 1.06 11 253 1.5 15 255 5.08 51 256 3.32 33 257 1.97 20 262 2.24 22 265 1.53 15 278 13.93 139 279 5 50 281 3.98 40 283 1.15 12 285 1.77 18 295 1.61 16 297 8.01 80 298 3.34 33 299 7.74 77 300 1.7 17 311 34.76 348 312 6.85 69 316 1.37 14 319 1.15 12 321 3.49 35 335 1.66 17 337 4.85 49 338 1.72 17 339 1.58 16 353 1.4 14 354 17.66 177 355 4.25 43 363 1.63 16 377 4.06 41 379 2.02 20 405 14.43 144 406 4.85 49 407 1.31 13 420 6.75 68 421 1.21 12 422 1.21 12 539 2.23 22 582 4.38 44 583 1.06 11 //