MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008370
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008370
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$SPLASH: splash10-0006-9100000000-29147d8387e69b7563c4
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
15 2.87 29
27 14.93 149
29 10.58 106
31 2.38 24
39 15.08 151
40 1.49 15
41 25.25 253
42 2.96 30
43 99.99 999
44 4.98 50
45 2.77 28
51 2.31 23
52 1.3 13
53 9.29 93
54 3.93 39
55 17.58 176
56 2.47 25
57 4.91 49
58 9.63 96
59 2.78 28
65 2.84 28
66 1.58 16
67 17.11 171
68 4.39 44
69 9.49 95
70 2 20
71 10.83 108
72 1.64 16
77 4.6 46
79 10.27 103
80 2.95 30
81 9.35 94
82 11.36 114
83 8.45 85
84 3 30
85 3.79 38
91 5.36 54
92 6.44 64
93 10.07 101
94 2.49 25
95 13.28 133
96 2.3 23
97 10.01 100
98 3 30
105 2.84 28
106 1.85 19
107 14.49 145
108 4.26 43
109 6.86 69
110 4.3 43
111 5.44 54
121 3.69 37
123 5.11 51
125 3.68 37
135 2.93 29
137 1.16 12
139 1.14 11
153 2.45 25
//