ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007837
RECORD_TITLE: 1,1,4-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$NAME: 1,1,4-TRIMETHYLINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆
CH$EXACT_MASS: 160.12520
CH$SMILES: Cc(c2)c(C1)c(cc2)C(C)(C)C1
CH$IUPAC: InChI=1S/C12H16/c1-9-5-4-6-11-10(9)7-8-12(11,2)3/h4-6H,7-8H2,1-3H3
CH$LINK: INCHIKEY USZSMCUXEWREKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60343389

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$SPLASH: splash10-0002-2900000000-f6ad88d7d67fc8cfc735
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 6.52 65
  27 5.41 54
  28 2.71 27
  39 6.82 68
  41 3.01 30
  51 4.78 48
  53 2.74 27
  65 3.51 35
  70.5 3.51 35
  77 4.49 45
  79 1.68 17
  91 4.11 41
  103 1.62 16
  105 6.02 60
  115 9.93 99
  128 10.32 103
  129 7.62 76
  143 2.37 24
  145 99.99 999
  159 0.81 8
  160 15.32 153
  161 1.96 20
//