MassBank Record: JP000166

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KUWANON-C; FD-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP000166
RECORD_TITLE: KUWANON-C; FD-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: 422.17293999999998277417034842073917388916015625
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$LINK: COMPTOX DTXSID20212148
CH$LINK: INCHIKEY UWQYBLOHTQWSQD-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FD-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-0010900000-3e351924ee985111f602
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  212 18.6 186
  213 17.5 175
  421 29.9 299
  422 99.99 999
  423 82.5 825
  424 17.9 179
//