MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012275
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012275
RECORD_TITLE: 1,4-DIETHYLBENZENE; 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$NAME: 1,4-DIETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: CCc(c1)ccc(CC)c1
CH$IUPAC: InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
CH$LINK: CAS
105-05-5
CH$LINK: INCHIKEY
DSNHSQKRULAAEI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4026711
AC$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-e64ac01d33f51e7f211d
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
107 3.66 37
119 9.04 90
133 18.59 186
134 8.46 85
135 99.99 999
136 11.16 112
163 19.45 195
164 2.55 26
175 5.87 59
//