MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001537
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001537
RECORD_TITLE: ISOPROPYLBENZENE; 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$NAME: ISOPROPYLBENZENE
CH$NAME: CUMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12
CH$EXACT_MASS: 120.09390
CH$SMILES: CC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
CH$LINK: INCHIKEY
RWGFKTVRMDUZSP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021827
AC$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: splash10-0a4i-5900000000-d7826e94822da05cb9c2
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 4.78 48
39 6.91 69
41 3.66 37
50 3.85 39
51 11.24 112
52 3.09 31
52.5 1.1 11
53 1.45 15
59 1.23 12
62 1.19 12
63 2.88 29
65 2.73 27
74 1.15 12
75 1.1 11
76 1.19 12
77 13.98 140
78 5.87 59
79 12.36 124
89 1.05 11
91 5.92 59
102 1.35 14
103 7.56 76
104 2.82 28
105 99.99 999
106 8.97 90
115 1.11 11
119 1.1 11
120 25.63 256
121 2.74 27
//