ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007841
RECORD_TITLE: 1,5,7-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$NAME: 1,5,7-TRIMETHYLINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16
CH$EXACT_MASS: 160.12520
CH$SMILES: Cc(c1)cc(C2)c(C(C)C2)c(C)1
CH$IUPAC: InChI=1S/C12H16/c1-8-6-10(3)12-9(2)4-5-11(12)7-8/h6-7,9H,4-5H2,1-3H3
CH$LINK: INCHIKEY NHUDOXBAZXTOGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40880787
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$SPLASH: splash10-0002-2900000000-e11dde34038ac8e4f5ca
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 3.01 30
  27 7.52 75
  28 1.91 19
  39 7.42 74
  41 2.61 26
  51 4.83 48
  53 2.31 23
  63 3.38 34
  65 3.12 31
  77 4.29 43
  79 1.48 15
  91 4.41 44
  103 1.47 15
  105 3.58 36
  115 9.12 91
  128 10.54 105
  129 9.02 90
  145 99.99 999
  159 1.81 18
  160 19.23 192
  161 2.47 25
//
