ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005219
RECORD_TITLE: PINANE; CI-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$NAME: PINANE
CH$NAME: 2,6,6-TRIMETHYLBICYCLO(3,3,1)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈
CH$EXACT_MASS: 138.14085
CH$SMILES: CC(C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
CH$LINK: INCHIKEY XOKSLPVRUOBDEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025922

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-2900000000-b7406496b4162a102ecd
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  80 1.91 19
  81 15.71 157
  83 5.87 59
  84 3.54 35
  94 1.22 12
  95 7.36 74
  96 4.11 41
  109 1 10
  110 0.93 9
  123 3.95 40
  136 1.13 11
  137 99.99 999
  138 33.63 336
  139 4.25 43
//