MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012262

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012262
RECORD_TITLE: 1,3,5-TRIMETHYLBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
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: CAS 108-67-8
CH$LINK: INCHIKEY AUHZEENZYGFFBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026797

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AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

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PK$SPLASH: splash10-00di-0900000000-7fc3173c64973335f3c7
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  119 24.96 250
  120 10.26 103
  121 99.99 999
  122 9.73 97
  149 18.04 180
  150 2.18 22
  161 5.33 53
//