ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012288
RECORD_TITLE: 3,5-DIMETHYL-1-ISOPROPYLBENZENE; 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$NAME: 3,5-DIMETHYL-1-ISOPROPYLBENZENE
CH$NAME: 5-ISOPROPYL-META-XYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆
CH$EXACT_MASS: 148.12520
CH$SMILES: CC(C)c(c1)cc(C)cc(C)1
CH$IUPAC: InChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3
CH$LINK: CAS 4706-90-5
CH$LINK: INCHIKEY RMKJTYPFCFNTGQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6063567

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$SPLASH: splash10-052b-0900000000-62a7270e186811e2a0e4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  105 2.03 20
  107 99.99 999
  108 8.42 84
  119 1.01 10
  133 28.37 284
  134 3.34 33
  135 46.03 460
  136 4.96 50
  147 63.17 632
  148 19.99 200
  149 86.68 867
  150 10.33 103
  189 1.11 11
//