ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006007
RECORD_TITLE: PINANE; 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$NAME: PINANE
CH$NAME: 2,6,6-TRIMETHYLBICYCLO(3.1.1)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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001j-9000000000-fd42cfe4e62dd4c7ddb0
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41 3 30
  43 1.92 19
  55 18.43 184
  56 4.66 47
  57 3.61 36
  67 17.37 174
  68 20.49 205
  69 29.61 296
  70 5.65 57
  80 7.73 77
  81 40.21 402
  82 80.12 801
  83 56.03 560
  84 4.96 50
  94 11.06 111
  95 99.99 999
  96 39.58 396
  97 5.62 56
  109 9.81 98
  110 6.36 64
  123 25.37 254
  124 2.72 27
  138 4.12 41
//