MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000359
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000359
RECORD_TITLE: D-LIMONENE 1,2-EPOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: D-LIMONENE 1,2-EPOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(=C)C(C2)CC(O1)C(C)(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3
CH$LINK: INCHIKEY
CCEFMUBVSUDRLG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50862594
AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-052f-9200000000-fecff1839cd311e2483c
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
15 27 270
17 1 10
18 16 160
26 0.9 9
27 55 550
28 32 320
29 55 550
30 0.2 2
31 10 100
37 2 20
39 68 680
40 4.1 41
41 75 750
42 40 400
43 99.99 999
44 5.7 57
45 29 290
50 16 160
51 40 400
52 2.6 26
53 60 600
54 41 410
55 86 860
56 3.9 39
57 19 190
58 18 180
59 13 130
62 0.4 4
63 15 150
64 4 40
65 42 420
66 2.9 29
67 91 910
68 61 610
69 71 710
70 1.4 14
71 64 640
72 11 110
74 1 10
75 0.1 1
77 53 530
78 21 210
79 85 850
80 3.9 39
81 69 690
82 64 640
83 52 520
84 5.3 53
85 5 50
88 1 10
91 60 600
92 3.8 38
93 86 860
94 88 880
95 88 880
96 2.8 28
97 31 310
98 1 10
102 1 10
103 0.5 5
104 2 20
105 34 340
106 17 170
107 4.6 46
108 87 870
109 97 970
110 45 450
111 1.7 17
115 2 20
117 5 50
120 61 610
121 0.8 8
122 61 610
123 25 250
124 2 20
129 0.5 5
133 2 20
134 26 260
135 4 40
136 0.4 4
137 78 780
138 14 140
151 2 20
152 3.3 33
153 3 30
//
system version 2.2.6-SNAPSHOT