MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001542
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001542
RECORD_TITLE: TERT-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$NAME: TERT-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
CH$LINK: INCHIKEY
YTZKOQUCBOVLHL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047138
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$SPLASH: splash10-014l-9800000000-7cd58a1b98cf092cd5c4
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 3.92 39
29 3.13 31
39 10.09 101
41 21.99 220
50 3.15 32
51 9.79 98
52 2.6 26
53 1.81 18
55 1.3 13
57.5 2.89 29
58 3 30
58.5 1.3 13
59.5 1.3 13
63 2.98 30
64 1.01 10
65 5.36 54
66 1.39 14
74 1.08 11
75 1.1 11
76 1.21 12
77 11.38 114
78 4.88 49
79 10.12 101
89 1.8 18
91 55.86 559
92 4.59 46
102 1.52 15
103 5.18 52
104 1.65 17
105 2.58 26
115 3.55 36
117 2.81 28
118 1.33 13
119 99.99 999
120 10.26 103
134 28.36 284
135 3.24 32
//