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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010924

5,5-DIMETHYL-6-METHYLENEBICYCLO(2.2.1)HEPTAN-2-OL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010924
RECORD_TITLE: 5,5-DIMETHYL-6-METHYLENEBICYCLO(2.2.1)HEPTAN-2-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 5,5-DIMETHYL-6-METHYLENEBICYCLO(2.2.1)HEPTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: OC(C1)C(C2)C(=C)C(C)(C)C12
CH$IUPAC: InChI=1S/C10H16O/c1-6-8-4-7(5-9(8)11)10(6,2)3/h7-9,11H,1,4-5H2,2-3H3
CH$LINK: INCHIKEY CFXJOMGPUADAJE-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4l-9800000000-0ac5c85882ed34b01c48
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 4.6 46
  29 3.5 35
  49 11.5 115
  51 2.3 23
  53 5.6 56
  55 6.3 63
  65 4 40
  66 3.3 33
  67 11.1 111
  68 3 30
  69 5 50
  77 11.7 117
  78 2.1 21
  79 9.6 96
  80 2.1 21
  81 8.2 82
  82 5.1 51
  83 2.9 29
  91 20.3 203
  92 4.6 46
  93 53.2 532
  94 5.3 53
  95 11.7 117
  96 1.7 17
  105 4.7 47
  106 3.5 35
  107 18.9 189
  108 99.99 999
  109 18.2 182
  110 2 20
  119 14.5 145
  121 8.5 85
  123 1.4 14
  134 2.1 21
  137 4 40
//

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