MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009709
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009709
RECORD_TITLE: HEXAMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: HEXAMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18
CH$EXACT_MASS: 162.14085
CH$SMILES: Cc(c(C)1)c(C)c(C)c(C)c(C)1
CH$IUPAC: InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
CH$LINK: INCHIKEY
YUWFEBAXEOLKSG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3058957
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01ot-0900000000-c83ad462b100f4de117a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
41 1.17 12
91 1.68 17
93 1 10
105 2.41 24
107 1.36 14
117 1.56 16
119 3.44 34
131 1.98 20
132 1.08 11
133 1.81 18
145 1.08 11
147 99.99 999
148 11.95 120
161 5.95 60
162 86.79 868
163 11.5 115
//
system version 2.2.8-SNAPSHOT