MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012291
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012291
RECORD_TITLE: 1,3-DIISOPROPYLBENZENE; 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$NAME: 1,3-DIISOPROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18
CH$EXACT_MASS: 162.14085
CH$SMILES: CC(C)c(c1)cc(cc1)C(C)C
CH$IUPAC: InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
CH$LINK: CAS
99-62-7
CH$LINK: INCHIKEY
UNEATYXSUBPPKP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8026640
AC$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: splash10-03ka-0900000000-19a6d5e45b470b0c3b33
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
79 5.87 59
91 1.19 12
105 3.84 38
107 9.67 97
119 4.42 44
121 99.99 999
122 9.81 98
133 2.18 22
147 52.91 529
148 6.39 64
149 43.22 432
150 5.24 52
161 51.9 519
162 19.51 195
163 99.32 993
164 12.75 128
191 2.74 27
203 6 60
//