MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008962
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008962
RECORD_TITLE: TERT-BUTYLCYCLOHEXYL ACETATE; 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$NAME: TERT-BUTYLCYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CC(=O)OC(C1)C(CCC1)C(C)(C)C
CH$IUPAC: InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3
CH$LINK: INCHIKEY
FINOAUDUYKVGDS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3036105
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$SPLASH: splash10-053r-9000000000-5100216c41146d7384ed
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
15 4.3 43
27 7.8 78
29 16.2 162
39 0.8 8
40 1.6 16
41 32.9 329
42 2.6 26
43 5.65 57
44 1.5 15
53 4.4 44
54 9.2 92
55 1.27 13
56 7.7 77
57 99.99 999
58 4.9 49
59 0.12 1
61 14.1 141
65 1.3 13
66 1.3 13
67 4.05 41
68 3.3 33
69 7.1 71
70 1.6 16
71 0.14 1
77 1.9 19
79 3.4 34
80 15.3 153
81 1.76 18
82 80.3 803
83 12.3 123
84 1.3 13
85 0.13 1
91 1.3 13
93 1.1 11
95 5 50
96 0.17 2
97 1.4 14
98 1.3 13
99 2.7 27
109 0.16 2
110 1.2 12
117 8.7 87
123 15.5 155
124 0.17 2
138 6.2 62
139 1.4 14
141 2.1 21
142 0.2 2
143 1.4 14
//