MassBank Record: JP000170



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

ACCESSION: JP000170
RECORD_TITLE: KUWANON-G; 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$NAME: KUWANON-G CH$NAME: ALBANIN-F 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: 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: splash10-08fr-0935200000-6d52a998c9856aa144bd PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 110 42.48 425 111 99.99 999 112 7.54 75 123 8.36 84 137 8.02 80 147 2.23 22 151 4.49 45 153 3.51 35 163 2.91 29 177 2.09 21 203 3.17 32 213 1.58 16 227 1.54 15 229 7.3 73 242 1.23 12 243 3.06 31 254 4.21 42 255 13.79 138 256 8.54 85 257 18.02 180 258 4.2 42 287 3.63 36 297 1.02 10 299 5.63 56 311 5.03 50 317 3.92 39 320 3.81 38 321 2.87 29 337 1.24 12 338 1.23 12 339 5.07 51 353 5.19 52 354 10.41 104 355 45.88 459 356 9.83 98 357 3.57 36 395 5.08 51 397 5.06 51 410 3.57 36 420 10.1 101 421 24.26 243 422 8.45 85 423 2.62 26 582 2.92 29 583 5.88 59 584 3.9 39 692 2.04 20 693 5.42 54 694 1.8 18 //