MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012292
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012292
RECORD_TITLE: 1,4-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$NAME: 1,4-DIISOPROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18
CH$EXACT_MASS: 162.14085
CH$SMILES: CC(C)c(c1)ccc(C(C)C)c1
CH$IUPAC: InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
CH$LINK: CAS
100-18-5
CH$LINK: INCHIKEY
SPPWGCYEYAMHDT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026652
AC$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: splash10-03dj-0900000000-63bcb7fbea70534dd0c9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
79 5.5 55
85 1.58 16
105 1.08 11
107 9.12 91
119 5.44 54
121 93.94 939
122 8.95 90
133 1.35 14
147 62.74 627
148 7.81 78
149 44.28 443
150 5.46 55
159 1.74 17
161 60.04 600
162 22.05 221
163 99.99 999
164 12.86 129
165 1 10
191 2.75 28
203 6.21 62
205 1.12 11
//