MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012266
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012266
RECORD_TITLE: TERT-BUTYLBENZENE; 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$NAME: TERT-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
CH$LINK: CAS
98-06-6
CH$LINK: INCHIKEY
YTZKOQUCBOVLHL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047138
AC$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-9200000000-f9f01b2377ddbb521dfe
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
57 99.99 999
58 6.52 65
119 17.24 172
120 1.75 18
133 5.32 53
134 2.87 29
//