ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007839
RECORD_TITLE: 1,1,6-TRIMETHYLINDAN; 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$NAME: 1,1,6-TRIMETHYLINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆
CH$EXACT_MASS: 160.12520
CH$SMILES: Cc(c2)cc(c(c2)1)C(C)(C)CC1
CH$IUPAC: InChI=1S/C12H16/c1-9-4-5-10-6-7-12(2,3)11(10)8-9/h4-5,8H,6-7H2,1-3H3
CH$LINK: INCHIKEY OEAUYEGWUJMPQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00343388

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$SPLASH: splash10-0002-3900000000-faf45a81284ffa21666d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  14 1.01 10
  15 6.62 66
  27 5.94 59
  28 4.91 49
  39 7.02 70
  41 3.11 31
  51 5.11 51
  53 2.84 28
  65 3.48 35
  70.5 3.61 36
  77 4.72 47
  79 1.63 16
  91 4.27 43
  103 1.69 17
  105 6.52 65
  115 9.62 96
  128 10.35 104
  129 7.82 78
  145 99.99 999
  160 16.73 167
  161 2.08 21
//