ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012339
RECORD_TITLE: 1,3-DIMETHYLNAPHTHALENE; 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$NAME: 1,3-DIMETHYLNAPHTHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂
CH$EXACT_MASS: 156.09390
CH$SMILES: Cc(c1)cc(c2)c(ccc2)c(C)1
CH$IUPAC: InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
CH$LINK: CAS 575-41-7
CH$LINK: INCHIKEY QHJMFSMPSZREIF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060360

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$SPLASH: splash10-0a4i-0900000000-866c148f58b412a9e554
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  155 6.8 68
  156 11.09 111
  157 99.99 999
  158 13.01 130
  185 18.08 181
  186 2.79 28
  197 3.93 39
//