ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007838
RECORD_TITLE: 1,1,5-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$NAME: 1,1,5-TRIMETHYLINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆
CH$EXACT_MASS: 160.12520
CH$SMILES: Cc(c2)cc(C1)c(c2)C(C)(C)C1
CH$IUPAC: InChI=1S/C12H16/c1-9-4-5-11-10(8-9)6-7-12(11,2)3/h4-5,8H,6-7H2,1-3H3
CH$LINK: INCHIKEY JIHZHLCOASGNCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90343392

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$SPLASH: splash10-0002-2900000000-0a5313ca5e4c87c39a5a
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 7.81 78
  27 6.12 61
  28 1.97 20
  39 7.26 73
  41 2.94 29
  51 5.19 52
  53 2.96 30
  63 3.81 38
  65 3.74 37
  77 5.02 50
  78 2 20
  91 4.23 42
  103 1.77 18
  105 6.11 61
  115 9.46 95
  128 10.25 103
  129 8.77 88
  143 2.21 22
  145 99.99 999
  146 12.23 122
  147 1.03 10
  160 14.51 145
  161 1.92 19
//