ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007840
RECORD_TITLE: 1,4,7-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$NAME: 1,4,7-TRIMETHYLINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16
CH$EXACT_MASS: 160.12520
CH$SMILES: Cc(c2)c(C1)c(c(C)c2)C(C)C1
CH$IUPAC: InChI=1S/C12H16/c1-8-4-5-9(2)12-10(3)6-7-11(8)12/h4-5,10H,6-7H2,1-3H3
CH$LINK: INCHIKEY VPYDMFMIOKBZIO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:41052
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$SPLASH: splash10-0002-2900000000-dd6607f6a0dc6c39dfbe
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 3.01 30
  27 8.22 82
  29 1.81 18
  39 7.12 71
  41 2.51 25
  51 5.11 51
  53 2.39 24
  63 3.34 33
  65 3.17 32
  77 4.32 43
  79 1.41 14
  91 4.39 44
  103 1.42 14
  105 3.81 38
  115 9.44 94
  128 10.92 109
  129 9.13 91
  145 99.99 999
  159 2.01 20
  160 20.13 201
  161 2.54 25
//
