MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008090
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008090
RECORD_TITLE: PARA-DIISOPROPYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PARA-DIISOPROPYLBENZENE
CH$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$LINK: INCHIKEY
SPPWGCYEYAMHDT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026652
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-1900000000-48b0197f94d6ea4bc350
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
41 2.74 27
43 13.69 137
79 1.61 16
91 9.66 97
92 1.13 11
105 12.88 129
106 1.45 15
117 3.06 31
118 1.29 13
119 32.85 329
120 3.54 35
131 2.58 26
132 3.06 31
133 1.29 13
145 2.74 27
146 1.12 11
147 99.99 999
148 12.56 126
149 0.97 10
161 1.29 13
162 36.07 361
163 4.83 48
//