MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008371
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008371
RECORD_TITLE: LIMONENE DIOXIDE; 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$NAME: LIMONENE DIOXIDE
CH$NAME: 1,2-EPOXY-4-(1,2-EPOXY-1-METHYLETHYL)-1-METHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O2
CH$EXACT_MASS: 168.11503
CH$SMILES: CC(C3)(O3)C(C2)CC(O1)C(C)(C2)1
CH$IUPAC: InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY
RBHIUNHSNSQJNG-UHFFFAOYSA-N
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$SPLASH: splash10-0006-9100000000-a2af02d90ccc82b85c88
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
14 1.23 12
15 2.67 27
27 13.82 138
29 10.81 108
31 2.64 26
39 14.79 148
40 1.27 13
41 20.41 204
42 2.74 27
43 99.99 999
44 4.97 50
45 3.68 37
51 2.53 25
53 9.25 93
54 3.1 31
55 16.92 169
56 2.07 21
57 4.81 48
58 8.15 82
59 2.22 22
65 2.48 25
66 1.43 14
67 16.86 169
68 4.13 41
69 7.42 74
70 1.97 20
71 8.31 83
77 5.37 54
79 11 110
80 4.1 41
81 9.85 99
82 10.65 107
83 8.85 89
84 3.65 37
85 3.46 35
91 5.38 54
92 6.47 65
93 13.67 137
94 6.87 69
95 21.45 215
96 2.22 22
97 6.52 65
98 1.9 19
105 3.02 30
106 1.13 11
107 16.07 161
108 4.22 42
109 5.74 57
110 4.13 41
111 4.12 41
121 2.95 30
122 1.51 15
123 7.77 78
125 2.47 25
135 1.45 15
137 2.34 23
138 1.92 19
//