MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012268
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012268
RECORD_TITLE: 3-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$NAME: 3-METHYL-1-PROPYLBENZENE
CH$NAME: 3-PROPYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: CCCc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
CH$LINK: CAS
1074-43-7
CH$LINK: INCHIKEY
QUEBYVKXYIKVSO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4061468
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$SPLASH: splash10-000i-1900000000-051d59cfb158d0e39e13
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
93 22.15 222
94 1.86 19
105 4.78 48
119 7.96 80
121 6.21 62
133 22.74 227
134 9.65 97
135 99.99 999
136 10.61 106
163 19.86 199
164 2.58 26
175 6.5 65
176 1.03 10
//