MassBank Record: JP012123

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(1R,2R,(4A)S,(8A)R)-1,2,(4A),5,6,7,8,(8A)-OCTAHYDRO-2-METHYLNAPHTHALEN-1-METHANOL; EI-B; MS

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

ACCESSION: JP012123
RECORD_TITLE: (1R,2R,(4A)S,(8A)R)-1,2,(4A),5,6,7,8,(8A)-OCTAHYDRO-2-METHYLNAPHTHALEN-1-METHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (1R,2R,(4A)S,(8A)R)-1,2,(4A),5,6,7,8,(8A)-OCTAHYDRO-2-METHYLNAPHTHALEN-1-METHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O
CH$EXACT_MASS: 180.151420000000001664375304244458675384521484375
CH$SMILES: OCC([H])(C([H])(C)1)C([H])(C2)C([H])(CCC2)C([H])=C([H])1
CH$IUPAC: InChI=1S/C12H20O/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h6-7,9-13H,2-5,8H2,1H3/t9-,10+,11-,12-/m1/s1
CH$LINK: INCHIKEY TUMHGYLMWUWTEY-WRWGMCAJSA-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$SPLASH: splash10-0002-4900000000-1056f553f6afb3db679c
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
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//