ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012270
RECORD_TITLE: 2-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$NAME: 2-METHYL-1-ISOPROPYLBENZENE
CH$NAME: 2-ISOPROPYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
CH$LINK: CAS 527-84-4
CH$LINK: COMPTOX DTXSID1052165
CH$LINK: INCHIKEY WWRCMNKATXZARA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10703

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$SPLASH: splash10-000f-4900000000-9e95146a0a21b765a8c3
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  91 3.12 31
  93 99.99 999
  94 7.87 79
  105 1.95 20
  119 23.17 232
  120 2.31 23
  121 46.57 466
  122 4.48 45
  133 26.94 269
  134 12.36 124
  135 75.54 755
  136 8.31 83
  175 3.12 31
//