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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001224

3,3-DIMETHYL-8,9-DINORBORNAN-2-YL ACETATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001224
RECORD_TITLE: 3,3-DIMETHYL-8,9-DINORBORNAN-2-YL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 3,3-DIMETHYL-8,9-DINORBORNAN-2-YL ACETATE
CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC(C(C)(C)1)C(C)(C2)CC(C2)1
CH$IUPAC: InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
CH$LINK: INCHIKEY JUWUWIGZUVEFQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047197

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-001l-9100000000-63f2f1bf541d7335ffbe
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  14 0.5 5
  15 2 20
  18 5 50
  26 0.5 5
  27 58.5 585
  28 6 60
  31 12 120
  38 0.7 7
  40 25.5 255
  41 1.5 15
  42 76 760
  43 0.2 2
  44 2 20
  50 0.5 5
  51 0.5 5
  52 0.03 0
  53 6 60
  54 0.3 3
  55 12 120
  56 0.1 1
  57 3 30
  59 1 10
  66 2 20
  67 0.05 1
  68 14 140
  69 1 10
  70 14.5 145
  71 0.05 1
  72 6.5 65
  73 13.5 135
  77 4 40
  78 0.05 1
  79 0.5 5
  80 8 80
  81 42 420
  82 99.99 999
  83 12 120
  85 5 50
  86 5 50
  87 0.15 2
  88 1 10
  91 3 30
  92 4 40
  93 1.2 12
  94 4 40
  95 6 60
  96 0.5 5
  97 0.23 2
  99 1 10
  105 1 10
  107 12 120
  108 0.2 2
  109 8 80
  110 0.5 5
  111 4 40
  114 0.05 1
  115 2 20
  116 3 30
  121 20 200
  122 0.2 2
  123 3 30
  134 4 40
  135 34 340
  136 0.35 4
  137 0.5 5
  138 2 20
  157 1.8 18
  158 3 30
//

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