ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007941
RECORD_TITLE: BORNEOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: BORNEOL
CH$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$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-0002-0900000000-65191fef89b7904d2002
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  31 6.87 69
  65 1.27 13
  70 2.82 28
  75 2.17 22
  93 2.02 20
  107 1 10
  135 3.37 34
  151 9.75 98
  153 37.02 370
  154 4.15 42
  173 2.45 25
  179 3.17 32
  197 99.99 999
  198 12.9 129
  199 1.6 16
  233 3.22 32
  235 6.45 65
  307 1.17 12
//