MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012283
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012283
RECORD_TITLE: 1,2,4,5-TETRAMETHYLBENZENE; 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$NAME: 1,2,4,5-TETRAMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: Cc(c1)c(C)cc(C)c(C)1
CH$IUPAC: InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
CH$LINK: CAS
95-93-2
CH$LINK: INCHIKEY
SQNZJJAZBFDUTD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1029124
AC$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-0900000000-8aa06f9726182139f0cc
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
119 1.19 12
133 35.87 359
134 14.57 146
135 99.99 999
136 11.26 113
163 12.64 126
164 1.66 17
175 2.67 27
//
system version 2.2.8-SNAPSHOT