MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011605
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011605
RECORD_TITLE: ISO-BUTYLBENZENE; 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$NAME: ISO-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY
KXUHSQYYJYAXGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6027181
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$SPLASH: splash10-0006-9100000000-441e2bdac95b54c434ff
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 10.2 102
28 1.2 12
29 2.5 25
38 1.2 12
39 15.7 157
40 1.2 12
41 12.3 123
43 22.2 222
50 2.5 25
51 7.7 77
52 1.9 19
53 1.2 12
56 1.2 12
58 1.9 19
63 4.3 43
64 1.2 12
65 15.4 154
77 3.1 31
78 3.1 31
89 2.5 25
91 99.99 999
92 61 610
93 4.9 49
103 1.2 12
104 1.5 15
106 1.2 12
115 2.2 22
117 1.5 15
119 1.5 15
134 22.2 222
135 2.5 25
//