MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012276
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012276
RECORD_TITLE: 1-ETHYL-2,3-DIMETHYLBENZENE; 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$NAME: 1-ETHYL-2,3-DIMETHYLBENZENE
CH$NAME: 3-ETHYL-ORTHO-XYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: CCc(c1)c(C)c(C)cc1
CH$IUPAC: InChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3
CH$LINK: CAS
933-98-2
CH$LINK: INCHIKEY
QUBBAXISAHIDNM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00865479
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$SPLASH: splash10-000i-0900000000-bb4597eab9229a3d015f
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
107 3.65 37
119 4.32 43
133 16.49 165
134 7.62 76
135 99.99 999
136 11.22 112
163 17.52 175
164 2.72 27
175 5.72 57
//