ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000557
RECORD_TITLE: BORNEOL; 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$NAME: BORNEOL
CH$NAME: ENDO-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-QXFUBDJGSA-N
CH$LINK: COMPTOX DTXSID3022035

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$SPLASH: splash10-0002-9500000000-d56079f73c4487b5c71c
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  40 1.22 12
  41 1.17 12
  42 2.94 29
  54 3.8 38
  67 3.45 35
  69 4.27 43
  70 2.36 24
  71 4.88 49
  72 2.65 27
  81 2.03 20
  82 5.13 51
  83 4.74 47
  84 4.78 48
  92 2.54 25
  93 6.64 66
  95 99.99 999
  96 11.15 112
  107 1.23 12
  108 4.37 44
  109 2.62 26
  110 36.79 368
  111 6.64 66
  121 9.06 91
  122 1.27 13
  137 14.4 144
  139 17.08 171
  140 2.05 21
  154 3.2 32
//