ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006005
RECORD_TITLE: CARANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CARANE
CH$NAME: 3,7,7-TRIMETHYLBICYCLO(4.1.0)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈
CH$EXACT_MASS: 138.14085
CH$SMILES: CC(C2)CC(C(C2)1)C(C)(C)1
CH$IUPAC: InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
CH$LINK: INCHIKEY BWRHOYDPVJPXMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10858852

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$SPLASH: splash10-0002-9000000000-c2006a2faf62b048e39a
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41 4.5 45
  54 1.5 15
  55 11.61 116
  56 1.64 16
  57 3.24 32
  69 10.53 105
  70 1.56 16
  82 26.12 261
  83 5.07 51
  93 2.47 25
  94 9.33 93
  95 99.99 999
  96 17.23 172
  97 1.44 14
  110 1.66 17
  124 2.72 27
  139 3.2 32
//