ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012272
RECORD_TITLE: 4-METHYL-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$NAME: 4-METHYL-1-ISOPROPYLBENZENE
CH$NAME: PARA-CYMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
CH$LINK: CAS 99-87-6
CH$LINK: INCHIKEY HFPZCAJZSCWRBC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026645

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$SPLASH: splash10-007x-4900000000-14f27e732fc9b57e0b12
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  90 1.21 12
  91 2.1 21
  93 99.99 999
  94 7.56 76
  105 1.71 17
  115 1.44 14
  119 32.37 324
  120 3.14 31
  121 50.05 501
  122 5.24 52
  133 47.37 474
  134 15.95 160
  135 74.85 749
  136 7.26 73
  163 1.21 12
  175 3.49 35
//