ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012287
RECORD_TITLE: 1-TERT-BUTYL-4-METHYLBENZENE; 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$NAME: 1-TERT-BUTYL-4-METHYLBENZENE
CH$NAME: 4-TERT-BUTYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆
CH$EXACT_MASS: 148.12520
CH$SMILES: Cc(c1)ccc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
CH$LINK: CAS 98-51-1
CH$LINK: INCHIKEY QCWXDVFBZVHKLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024704

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$SPLASH: splash10-0a4i-9200000000-553a4989bc6d23178e34
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  57 99.99 999
  58 4.71 47
  121 1 10
  133 14.18 142
  134 1.53 15
  147 11.22 112
  148 3.4 34
  149 1.1 11
//