ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000556
RECORD_TITLE: ISOBORNEOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: ISOBORNEOL
CH$NAME: EXO-BORNEOL
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9400000000-5cf18ebd6241d65be3ac
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  40 1.56 16
  42 4.37 44
  54 3.26 33
  57 1.13 11
  59 4.12 41
  67 3.71 37
  68 1.39 14
  69 5.95 60
  70 1.96 20
  71 5.27 53
  72 5.09 51
  79 1.22 12
  80 1.2 12
  81 4.9 49
  82 9.68 97
  83 5.64 56
  84 5.04 50
  85 1.12 11
  92 9.23 92
  93 18.79 188
  94 2.14 21
  95 99.99 999
  96 10.27 103
  97 1.67 17
  98 1 10
  107 2.45 25
  108 3.59 36
  109 2.67 27
  110 33.48 335
  111 8.46 85
  121 14.38 144
  122 1.54 15
  123 1.37 14
  136 25.99 260
  138 2.56 26
  139 14.55 146
  140 1.6 16
  154 2.62 26
//