ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012279
RECORD_TITLE: 1-ETHYL-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

CH$NAME: 1-ETHYL-3,5-DIMETHYLBENZENE
CH$NAME: 5-ETHYL-META-XYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CCc(c1)cc(C)cc(C)1
CH$IUPAC: InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
CH$LINK: CAS 934-74-7
CH$LINK: INCHIKEY LMAUULKNZLEMGN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1061316

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

PK$SPLASH: splash10-000i-0900000000-60304b160d9a0edd1612
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  107 2.63 26
  119 4.79 48
  133 24.37 244
  134 8.95 90
  135 99.99 999
  136 11 110
  163 16.5 165
  164 2.34 23
  175 5.1 51
//