MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006277
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006277
RECORD_TITLE: TERT-BUTYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: CAS
98-06-6
CH$LINK: INCHIKEY
YTZKOQUCBOVLHL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047138
AC$INSTRUMENT: HITACHI M-80
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-7900000000-96b15ff8f1fc94e8358c
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
15 2.27 23
27 2.96 30
28 1.61 16
29 1.71 17
39 7.23 72
40 0.61 6
41 12.58 126
42 0.49 5
50 2.41 24
51 6.53 65
52 1.57 16
53 1.05 11
57 1.04 10
58 1.11 11
63 2.63 26
64 0.6 6
65 3.61 36
66 0.41 4
74 0.95 10
75 1 10
76 1.17 12
77 9.25 93
78 4.62 46
79 7.77 78
80 0.5 5
89 1.22 12
90 0.33 3
91 50.13 501
92 3.99 40
102 1.75 18
103 6.37 64
104 1.82 18
105 1.23 12
115 3.52 35
116 0.87 9
117 2.87 29
118 1.56 16
119 99.99 999
120 10.15 102
121 0.46 5
134 31.59 316
135 3.4 34
//