ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012289
RECORD_TITLE: PENTAMETHYLBENZENE; 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$NAME: PENTAMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆
CH$EXACT_MASS: 148.12520
CH$SMILES: Cc(c1)c(C)c(C)c(C)c(C)1
CH$IUPAC: InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
CH$LINK: CAS 700-12-9
CH$LINK: INCHIKEY BEZDDPMMPIDMGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6061024

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$SPLASH: splash10-0002-0900000000-ffa94df19f6957aadc5e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  133 1.43 14
  147 48.13 481
  148 21.84 218
  149 99.99 999
  150 12.14 121
  177 13.01 130
  178 1.76 18
  189 2.06 21
//