MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001676
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001676
RECORD_TITLE: CUMENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: CUMENE
CH$NAME: ISOPROPYLBENZENE
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-7M
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-5900000000-85373096cba2d7b6167d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 0.93 9
27 5.65 57
39 7.89 79
41 4.56 46
50 3.87 39
51 13.15 132
52 3.25 33
52.5 1.16 12
53 1.47 15
63 2.86 29
65 2.71 27
74 1.31 13
75 1.16 12
76 1.16 12
77 16.71 167
78 6.19 62
79 15.31 153
89 1.01 10
91 6.19 62
103 7.19 72
104 2.24 22
105 99.99 999
106 8.51 85
119 0.77 8
120 23.9 239
121 2.24 22
//