MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012293

1-TERT-BUTYL-3,5-DIMETHYLBENZENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012293
RECORD_TITLE: 1-TERT-BUTYL-3,5-DIMETHYLBENZENE; 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$NAME: 1-TERT-BUTYL-3,5-DIMETHYLBENZENE
CH$NAME: 5-TERT-BUTYL-META-XYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈
CH$EXACT_MASS: 162.14085
CH$SMILES: Cc(c1)cc(cc(C)1)C(C)(C)C
CH$IUPAC: InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3
CH$LINK: CAS 98-19-1
CH$LINK: INCHIKEY FZSPYHREEHYLCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2052659

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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$SPLASH: splash10-0a4i-9700000000-093bd84d33c91527a6ef
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57 99.99 999
  58 4.58 46
  107 9.82 98
  135 4.97 50
  147 22.56 226
  148 2.65 27
  161 27.31 273
  162 7.68 77
  163 10.13 101
  164 1.32 13
//