MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001545
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001545
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-4900000000-6e55f07eeef43f87048e
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
27 5.72 57
29 1.11 11
39 5.49 55
41 11.8 118
43 22 220
50 1.26 13
51 4.55 46
52 1.16 12
53 2.31 23
55 1.57 16
63 2.31 23
64 2.35 24
64.5 1.2 12
65 4.86 49
65.5 1.47 15
66 2.68 27
77 7.29 73
78 2.81 28
79 4.53 45
89 1.04 10
91 22.39 224
92 1.87 19
102 1.17 12
103 4.07 41
104 1.7 17
105 20.78 208
106 2.03 20
115 5.09 51
116 3.01 30
117 8.49 85
118 2.05 21
119 32.17 322
120 3.42 34
127 1.24 12
128 2.56 26
129 1.91 19
131 5.6 56
132 4.68 47
133 1.77 18
145 2.9 29
146 1.19 12
147 99.99 999
148 12.41 124
161 1.15 12
162 26.82 268
163 3.9 39
//