MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007836

1,1,3-TRIMETHYLINDAN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007836
RECORD_TITLE: 1,1,3-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

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CH$NAME: 1,1,3-TRIMETHYLINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆
CH$EXACT_MASS: 160.12520
CH$SMILES: CC(C1)c(c2)c(ccc2)C(C)(C)1
CH$IUPAC: InChI=1S/C12H16/c1-9-8-12(2,3)11-7-5-4-6-10(9)11/h4-7,9H,8H2,1-3H3
CH$LINK: INCHIKEY CPLBLNGVYBSVPU-UHFFFAOYSA-N

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-1900000000-d915561ced4309e5ac04
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 1.01 10
  39 2.41 24
  41 2.01 20
  51 2.71 27
  57.5 0.81 8
  64 3.31 33
  65 3.01 30
  77 3.34 33
  78 1.01 10
  91 9.22 92
  103 2.26 23
  115 7.35 74
  117 10.62 106
  128 7.88 79
  129 6.72 67
  144 2.51 25
  145 99.99 999
  146 11.92 119
  160 18.73 187
  161 2.34 23
//