MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009434
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009434
RECORD_TITLE: 6-METHYL-3,4-(5'-CHLOROBENZO)-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6-METHYL-3,4-(5'-CHLOROBENZO)-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H9ClO2
CH$EXACT_MASS: 208.02911
CH$SMILES: Clc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C12
CH$IUPAC: InChI=1S/C11H9ClO2/c1-11-5-9(11)14-8-4-6(12)2-3-7(8)10(11)13/h2-4,9H,5H2,1H3
CH$LINK: INCHIKEY
QXHWEEJMQGJQLJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:101320216
AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0929-6920000000-a67f61c8f05797a60fac
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
50 23 230
51 21 210
52 3 30
53 38 380
54 4 40
55 4.5 45
56 1.5 15
57 1 10
58 6 60
59 1.5 15
61 0.5 5
62 11 110
63 54 540
64 9.5 95
65 8 80
66 3 30
67 2 20
68 1 10
69 11 110
71 3 30
72 3.5 35
73 8.5 85
74 20 200
75 49 490
76 11 110
77 10 100
78 1.5 15
79 1 10
84 2 20
85 4 40
86 4.5 45
87 4.5 45
88 1 10
89 8 80
90 1 10
91 20 200
92 2.5 25
93 1 10
96 1 10
97 4 40
98 9 90
99 12.5 125
100 4 40
101 9.5 95
102 9 90
103 2 20
104 1 10
105 6 60
106 1 10
107 1 10
109 2 20
110 34 340
111 7 70
112 14 140
114 4 40
115 22.5 225
116 5 50
117 10.5 105
118 1 10
119 2 20
124 1 10
125 2 20
126 16 160
127 2.5 25
128 7 70
129 1.5 15
130 2.5 25
131 1.5 15
132 1.1 11
134 1 10
135 1 10
136 2 20
137 4 40
138 31 310
139 12 120
140 10.5 105
141 3 30
143 1 10
144 5 50
145 24.5 245
146 3 30
147 1 10
149 2 20
151 1 10
154 6 60
155 14.5 145
156 4.5 45
157 3.5 35
158 1 10
165 45 450
166 3.5 35
167 16.5 165
168 45 450
169 4.5 45
170 12.5 125
171 2 20
172 1 10
173 5 50
179 31 310
180 5 50
181 14.5 145
182 3.5 35
183 2 20
193 8 80
194 2 20
195 3 30
207 4 40
208 99.99 999
209 12.5 125
210 34 340
211 3 30
//
system version 2.2.8-SNAPSHOT