MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001153
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001153
RECORD_TITLE: METHYL 3,3-DIETHYL-4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 3,3-DIETHYL-4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O3
CH$EXACT_MASS: 250.15689
CH$SMILES: COC(=O)C(C(=O)2)(C31)C(CCC3)(CC(CC)(CC)2)1
CH$IUPAC: InChI=1S/C15H22O3/c1-4-13(5-2)9-14-8-6-7-10(14)15(14,11(13)16)12(17)18-3/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY
WCOJHCWNWYBOOQ-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-014m-9710000000-4f9789ca7562bab7ce39
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
39 15 150
40 3 30
41 30 300
42 3 30
43 6 60
45 2 20
50 2 20
51 6 60
52 3 30
53 13 130
54 2 20
55 28 280
56 2 20
57 3 30
59 8 80
63 2 20
64 2 20
65 9 90
66 5 50
67 10 100
68 2 20
69 7 70
70 3 30
71 2 20
75 1 10
76 1 10
77 24 240
78 9 90
79 24 240
80 4 40
81 8 80
82 1 10
83 33 330
84 3 30
85 1 10
89 1 10
90 1 10
91 25 250
92 6 60
93 23 230
94 3 30
95 4 40
96 1 10
97 8 80
98 77 770
99 6 60
101 1 10
102 1 10
103 3 30
104 1 10
105 11 110
106 6 60
107 10 100
108 4 40
109 3 30
110 2 20
111 2 20
115 3 30
116 1 10
117 4 40
118 1 10
119 5 50
120 3 30
121 10 100
122 2 20
123 3 30
124 1 10
125 1 10
127 1 10
128 2 20
129 1 10
131 3 30
132 1 10
133 9 90
134 10 100
135 3 30
136 1 10
137 3 30
138 6 60
139 2 20
140 1 10
141 1 10
143 1 10
144 1 10
145 2 20
146 1 10
147 5 50
148 3 30
149 3 30
150 1 10
151 3 30
152 9 90
153 2 20
159 1 10
160 1 10
161 15 150
162 12 120
163 5 50
164 1 10
165 3 30
166 99.99 999
167 11 110
168 2 20
173 2 20
175 3 30
176 1 10
177 1 10
179 1 10
180 1 10
189 6 60
190 10 100
191 6 60
192 1 10
193 5 50
194 1 10
204 1 10
206 1 10
208 2 20
217 1 10
218 6 60
219 11 110
220 2 20
221 3 30
222 19 190
223 3 30
//
system version 2.2.8-SNAPSHOT