MassBank Record: JP008017

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(2XI,4AS,5S 8AS)-(+)-2,5BETA-DIMETHYL-8ABETA-METHOXYMETHOXYMETHYL-5ALPAH-(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: JP008017
RECORD_TITLE: (2XI,4AS,5S 8AS)-(+)-2,5BETA-DIMETHYL-8ABETA-METHOXYMETHOXYMETHYL-5ALPAH-(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$NAME: (2XI,4AS,5S 8AS)-(+)-2,5BETA-DIMETHYL-8ABETA-METHOXYMETHOXYMETHYL-5ALPAH-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H36O3
CH$EXACT_MASS: 336.26645000000002028173184953629970550537109375
CH$SMILES: COCOCC(C1)(C(=O)2)C([H])(CCC(C)2)C(C)(CCC=C(C)C)CC1
CH$IUPAC: InChI=1S/C21H36O3/c1-16(2)8-6-11-20(4)12-7-13-21(14-24-15-23-5)18(20)10-9-17(3)19(21)22/h8,17-18H,6-7,9-15H2,1-5H3/t17?,18-,20+,21+/m0/s1
CH$LINK: INCHIKEY AHDSEBVMDMJCBB-LSMWDBJESA-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$SPLASH: splash10-05vn-8920000000-75613bec16bed111c32e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
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