MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012286
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012286
RECORD_TITLE: TERT-PENTYLBENZENE; 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$NAME: TERT-PENTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16
CH$EXACT_MASS: 148.12520
CH$SMILES: CCC(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
CH$LINK: CAS
2049-95-8
CH$LINK: INCHIKEY
QHTJSSMHBLGUHV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7051848
AC$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: splash10-00di-9200000000-4c70cd90ef5e1520da69
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
71 99.99 999
72 5.67 57
91 1.78 18
105 1.48 15
119 6.95 70
133 9.47 95
134 1.01 10
147 4.93 49
148 1.26 13
//