ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012297
RECORD_TITLE: 5-METHYL-1,3-DIISOPROPYLBENZENE; 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$NAME: 5-METHYL-1,3-DIISOPROPYLBENZENE
CH$NAME: 3,5-DIISOPROPYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀
CH$EXACT_MASS: 176.15650
CH$SMILES: CC(C)c(c1)cc(C(C)C)cc(C)1
CH$IUPAC: InChI=1S/C13H20/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h6-10H,1-5H3
CH$LINK: CAS 3055-14-9
CH$LINK: INCHIKEY SOALUUXENHDLMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40184636

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$SPLASH: splash10-004i-0900000000-47104e644e954998ce83
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  93 10.62 106
  121 7.29 73
  133 3.02 30
  135 78 780
  136 8.55 86
  161 51.12 511
  162 6.94 69
  163 39.86 399
  164 5.18 52
  175 75.76 758
  176 26.02 260
  177 99.99 999
  178 14.16 142
//