ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006924
RECORD_TITLE: BORNEOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BORNEOL
CH$NAME: ENDO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: OC(C1)C(C)(C2)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
CH$LINK: INCHIKEY DTGKSKDOIYIVQL-QXFUBDJGSA-N
CH$LINK: COMPTOX DTXSID3022035

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0002-9100000000-1bb77820d7f610ff89a7
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  27 6.4 64
  29 5.62 56
  39 8.55 86
  40 1.27 13
  41 18.02 180
  42 1.46 15
  43 10.03 100
  44 1.08 11
  51 1.34 13
  53 5.43 54
  55 10.39 104
  56 1.1 11
  57 2.95 30
  65 1.59 16
  67 8.54 85
  68 1.36 14
  69 7.03 70
  70 2.25 23
  71 5.78 58
  72 1.96 20
  77 3.42 34
  79 4.05 41
  81 3.25 33
  82 4.3 43
  83 3.76 38
  84 3.45 35
  91 2.83 28
  92 2.25 23
  93 6.73 67
  94 1.16 12
  95 99.99 999
  96 8.4 84
  97 1.28 13
  105 1.01 10
  107 1.12 11
  108 2.56 26
  109 2.34 23
  110 20.68 207
  111 4.11 41
  121 5.71 57
  136 5.83 58
  139 8.58 86
//