MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012267
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012267
RECORD_TITLE: 2-METHYL-1-PROPYLBENZENE; 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$NAME: 2-METHYL-1-PROPYLBENZENE
CH$NAME: 2-PROPYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: CCCc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
CH$LINK: CAS
1074-17-5
CH$LINK: INCHIKEY
YQZBFMJOASEONC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4061466
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$SPLASH: splash10-000i-1900000000-d0054cb7d77858a86763
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
91 1.09 11
93 21.84 218
94 1.9 19
105 4.42 44
119 6.58 66
121 7.22 72
133 15.9 159
134 8.56 86
135 99.99 999
136 11.05 111
163 19.14 191
164 2.58 26
175 7.79 78
//