MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012340
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012340
RECORD_TITLE: 1,4-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$NAME: 1,4-DIMETHYLNAPHTHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12
CH$EXACT_MASS: 156.09390
CH$SMILES: Cc(c1)c(c2)c(ccc2)c(C)c1
CH$IUPAC: InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
CH$LINK: CAS
571-58-4
CH$LINK: INCHIKEY
APQSQLNWAIULLK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8035423
AC$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-0900000000-1698869c2a72e8f4beee
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
155 8.43 84
156 12.08 121
157 99.99 999
158 12.67 127
185 17.39 174
186 2.53 25
197 3.66 37
//