ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012294
RECORD_TITLE: 1,3,5-TRIETHYLBENZENE; 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$NAME: 1,3,5-TRIETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈
CH$EXACT_MASS: 162.14085
CH$SMILES: CCc(c1)cc(CC)cc(CC)1
CH$IUPAC: InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3
CH$LINK: CAS 102-25-0
CH$LINK: INCHIKEY WJYMPXJVHNDZHD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7602

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$SPLASH: splash10-03di-0900000000-3df0395fb9f1ea14b785
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  135 1.62 16
  147 13.4 134
  148 1.66 17
  161 29.93 299
  162 10.97 110
  163 99.99 999
  164 13.57 136
  191 16.26 163
  192 2.46 25
  203 3.79 38
//