MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007127
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007127
RECORD_TITLE: ISOPROPYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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: CAS
98-82-8
CH$LINK: INCHIKEY
RWGFKTVRMDUZSP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021827
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-5900000000-b19bd34b1ebead05ac65
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 1.29 13
27 4.77 48
39 8.36 84
41 3.37 34
50 3.91 39
51 12.2 122
52 2.51 25
53 1.39 14
62 1.1 11
63 2.96 30
65 2.49 25
74 1.3 13
75 1.17 12
76 1.2 12
77 14.9 149
78 7.19 72
79 12.17 122
91 6.2 62
102 1.11 11
103 7.79 78
104 2.2 22
105 99.99 999
106 8.27 83
120 23.95 240
121 1.88 19
//