MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008089
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008089
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$NAME: ISOPROPYLBENZENE
CH$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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-1900000000-97ac180f6d1c8c215ca1
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
27 0.92 9
41 1.43 14
77 4.6 46
78 1.84 18
79 7.66 77
91 3.27 33
103 3.27 33
104 2.66 27
105 99.99 999
106 9.19 92
119 1.23 12
120 32.38 324
121 3.17 32
//