ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY UWQYBLOHTQWSQD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20212148

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
//