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MassBank Record: JP008016

(4AS,5S,8AS)-8ABETA-FORMYL-5BETA-METHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP008016
RECORD_TITLE: (4AS,5S,8AS)-8ABETA-FORMYL-5BETA-METHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (4AS,5S,8AS)-8ABETA-FORMYL-5BETA-METHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H28O2
CH$EXACT_MASS: 276.20893
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C=O)(CC2)C(=O)CC1
CH$IUPAC: InChI=1S/C18H28O2/c1-14(2)7-5-10-17(3)11-6-12-18(13-19)15(17)8-4-9-16(18)20/h7,13,15H,4-6,8-12H2,1-3H3/t15-,17+,18+/m0/s1
CH$LINK: INCHIKEY CWBJWMNSYTUYMG-CGTJXYLNSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0006-9300000000-a8e278e21815ea365a76
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  34 9.15 92
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  248 5.08 51
  276 10.95 110
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