MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007133
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007133
RECORD_TITLE: TERT-BUTYLBENZENE; 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$NAME: TERT-BUTYLBENZENE
CH$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-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: splash10-014l-9800000000-a0bc8ad01060554d93d9
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 1.52 15
27 3.41 34
28 1.86 19
29 2.35 24
39 10.75 108
41 19.57 196
50 3.09 31
51 10.62 106
52 2.22 22
53 1.38 14
57 1.04 10
58 2.01 20
63 2.74 27
65 4.25 43
74 1.01 10
75 1.15 12
76 1.11 11
77 13.17 132
78 4.88 49
79 9.67 97
89 1.35 14
91 61.67 617
92 4.15 42
102 1.81 18
103 5.74 57
104 1.69 17
115 3.24 32
116 1.01 10
117 2.51 25
118 1.11 11
119 99.99 999
120 9.19 92
134 24.1 241
135 2.37 24
//