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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007994

ETHYL (4'AS,5'S,8'AS)-E-(+)-3-METHYL-5-((5'ALPHA-(4'-METHYL-3'-PENTENYL)-2',5'BETA,8'ABETA-TRIMETHYL-3',4',4'A,5',6',7',8',8'A-OCTAHYDRONAPHTHALENYL)-2-PENTENOATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007994
RECORD_TITLE: ETHYL (4'AS,5'S,8'AS)-E-(+)-3-METHYL-5-((5'ALPHA-(4'-METHYL-3'-PENTENYL)-2',5'BETA,8'ABETA-TRIMETHYL-3',4',4'A,5',6',7',8',8'A-OCTAHYDRONAPHTHALENYL)-2-PENTENOATE; 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$NAME: ETHYL (4'AS,5'S,8'AS)-E-(+)-3-METHYL-5-((5'ALPHA-(4'-METHYL-3'-PENTENYL)-2',5'BETA,8'ABETA-TRIMETHYL-3',4',4'A,5',6',7',8',8'A-OCTAHYDRONAPHTHALENYL)-2-PENTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H44O2
CH$EXACT_MASS: 400.33413
CH$SMILES: CC(CCC=C(C)C)(C([H])12)CCCC(C)1C(CCC(C)=CC(=O)OCC)=C(CC2)C
CH$IUPAC: InChI=1S/C27H44O2/c1-8-29-25(28)19-21(4)12-14-23-22(5)13-15-24-26(6,16-9-11-20(2)3)17-10-18-27(23,24)7/h11,19,24H,8-10,12-18H2,1-7H3/b21-19+/t24-,26+,27+/m0/s1
CH$LINK: INCHIKEY OZGYOMIOZULOOP-IONFVZKMSA-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$SPLASH: splash10-069r-5910000000-9ba557619cbebdeb71aa
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  41 13.14 131
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  57 8.21 82
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  145 8.2 82
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  274 11.1 111
  317 5.89 59
  318 6.6 66
  400 8 80
//

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