MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006054

1,3,5-TRIMETHYLBENZENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006054
RECORD_TITLE: 1,3,5-TRIMETHYLBENZENE; 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$NAME: 1,3,5-TRIMETHYLBENZENE
CH$NAME: MESITYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: Cc(c1)cc(C)cc(C)1
CH$IUPAC: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
CH$LINK: INCHIKEY AUHZEENZYGFFBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026797

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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$SPLASH: splash10-05fr-0900000000-56ef0448d506c14ef73f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  77 2.16 22
  79 2.99 30
  91 2.78 28
  92 1.03 10
  103 1.72 17
  104 1.31 13
  105 93.9 939
  106 8.24 82
  117 1.08 11
  119 12.37 124
  120 99.99 999
  121 9.8 98
//