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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012123

(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: MSBNK-Fac_Eng_Univ_Tokyo-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: 180.15142
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.
  41 8.34 83
  55 6.51 65
  67 8.14 81
  77 6.99 70
  79 14.53 145
  81 21.5 215
  91 15.65 157
  93 13.18 132
  95 5.35 54
  105 17.05 171
  107 12.68 127
  119 11.12 111
  120 5.66 57
  133 6.46 65
  147 13.18 132
  149 99.99 999
  150 15.56 156
  162 9.56 96
  180 12.86 129
//

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