MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006439
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006439
RECORD_TITLE: LIMONENE DIOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: LIMONENE DIOXIDE
CH$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: splash10-0006-9100000000-382333aaf62923e66db4
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
15 2.91 29
27 14.77 148
29 11.12 111
31 2.05 21
39 16.39 164
40 1.8 18
41 26.59 266
42 3.03 30
43 99.99 999
44 5.21 52
45 3.02 30
51 1.51 15
52 1.47 15
53 9.28 93
54 3.42 34
55 18.59 186
56 2.7 27
57 5.01 50
58 7.54 75
59 2.37 24
65 3.05 31
66 2.02 20
67 16.61 166
68 4.19 42
69 8.59 86
70 2.2 22
71 10.27 103
72 1.74 17
77 5.03 50
79 10.59 106
80 2.29 23
81 9.67 97
82 9.97 100
83 8.8 88
84 5.49 55
85 5.36 54
91 6.36 64
92 5.88 59
93 10.35 104
94 2.59 26
95 13.01 130
96 1.83 18
97 9.81 98
98 2.72 27
105 2.89 29
106 1.48 15
107 16.41 164
108 4.58 46
109 7.34 73
110 3.77 38
111 4.02 40
121 3.66 37
123 5.32 53
124 1.52 15
125 3.68 37
135 2.91 29
137 1.57 16
139 1.57 16
153 2.94 29
//