ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006925
RECORD_TITLE: ISOBORNEOL; 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$NAME: ISOBORNEOL
CH$NAME: EXO-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-OYNCUSHFSA-N
CH$LINK: COMPTOX DTXSID40168259

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$SPLASH: splash10-0005-9100000000-d50d0d9d1dd88bfb8d8c
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  27 10.18 102
  28 1.27 13
  29 8.74 87
  31 1.55 16
  39 12.52 125
  40 1.98 20
  41 27.77 278
  42 2.25 23
  43 15.64 156
  44 1.72 17
  45 1.02 10
  51 2 20
  53 8.28 83
  54 1.63 16
  55 16.38 164
  56 1.73 17
  57 3.6 36
  59 5.43 54
  65 2.23 22
  67 13.09 131
  68 2.71 27
  69 9.67 97
  70 2.71 27
  71 8.08 81
  72 5.07 51
  77 4.64 46
  79 5.75 58
  80 1.6 16
  81 6.49 65
  82 9.91 99
  83 6.14 61
  84 4.79 48
  85 1.16 12
  91 3.06 31
  92 7.2 72
  93 16.46 165
  94 2.27 23
  95 99.99 999
  96 8.83 88
  97 1.7 17
  105 1.1 11
  107 2.08 21
  108 2.83 28
  109 2.04 20
  110 18.03 180
  111 6.06 61
  121 12.25 123
  136 12.23 122
  137 1.25 13
  139 8.46 85
//