MassBank Record: JP000165



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

ACCESSION: JP000165
RECORD_TITLE: KUWANON-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$NAME: KUWANON-C CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H26O6 CH$EXACT_MASS: 422.17294 CH$SMILES: CC(C)=CCc(c(O)3)c(O1)c(c(O)c3)C(=O)C(CC=C(C)C)=C(c(c2)c(O)cc(O)c2)1 CH$IUPAC: InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
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$SPLASH: splash10-00fr-0009400000-4210925cffaf9d547765 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 165 16.37 164 227 1.02 10 241 4.51 45 269 1.16 12 283 1.62 16 297 3.73 37 299 1.73 17 307 1.67 17 309 2.15 22 310 2.67 27 311 30.84 308 312 5.55 56 313 1.03 10 323 34.92 349 324 9.01 90 325 2.87 29 333 1.9 19 335 1.9 19 337 3.32 33 347 1.94 19 349 10.05 101 350 2.52 25 351 5.61 56 354 1.68 17 361 6.3 63 362 1.1 11 363 2.08 21 365 11.84 118 366 6.21 62 367 8.09 81 379 99.99 999 380 24.3 243 381 4.72 47 389 13.59 136 390 2.76 28 393 1.43 14 403 2.86 29 404 4.94 49 405 16.5 165 406 4.17 42 407 5.7 57 420 1.97 20 421 6.48 65 422 80.39 804 423 23.46 235 424 5.18 52 //