MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012277

1-ETHYL-3,4-DIMETHYLBENZENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012277
RECORD_TITLE: 1-ETHYL-3,4-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$NAME: 1-ETHYL-3,4-DIMETHYLBENZENE
CH$NAME: 4-ETHYL-ORTHO-XYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CCc(c1)cc(C)c(C)c1
CH$IUPAC: InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
CH$LINK: CAS 934-80-5
CH$LINK: INCHIKEY SBUYFICWQNHBCM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6061317

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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$SPLASH: splash10-000i-0900000000-46ce365cca68bdd3a601
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  107 2.89 29
  119 4.99 50
  133 24.8 248
  134 9.01 90
  135 99.99 999
  136 11.16 112
  163 17.96 180
  164 2.71 27
  175 5.55 56
//