MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004619
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004619
RECORD_TITLE: (7E,11E)-1-(2-HYDROXYETHYL)-2,3-EPOXY-1,7,11-TRIMETHYLCYCLOTETRADECADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (7E,11E)-1-(2-HYDROXYETHYL)-2,3-EPOXY-1,7,11-TRIMETHYLCYCLOTETRADECADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H32O2
CH$EXACT_MASS: 292.24023
CH$SMILES: OCCC(C)(C2)C(O1)C(CCCC(C)=C([H])CCC(C)=C([H])C2)1
CH$IUPAC: InChI=1S/C19H32O2/c1-15-7-4-8-16(2)10-6-12-19(3,13-14-20)18-17(21-18)11-5-9-15/h7,10,17-18,20H,4-6,8-9,11-14H2,1-3H3/b15-7+,16-10+
CH$LINK: INCHIKEY
AGXRTUPIZLCCNG-FJFWOBFQSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-016s-9710000000-88bceec3c05fa5c48d02
PK$NUM_PEAK: 164
PK$PEAK: m/z int. rel.int.
15 2.5 25
17 12.2 122
18 99.99 999
27 0.59 6
28 9.3 93
29 26.2 262
31 14.9 149
32 0.2 2
40 1.5 15
41 5.3 53
42 5.5 55
43 2.53 25
44 18.6 186
45 16.6 166
46 2.9 29
51 0.27 3
53 2.9 29
54 1.1 11
55 12.4 124
56 0.38 4
57 7.7 77
58 4 40
59 8.1 81
60 0.32 3
61 7.5 75
63 1.8 18
66 2 20
67 0.7 7
68 13.6 136
69 17.4 174
70 3.8 38
71 0.82 8
73 8.1 81
74 1.3 13
77 4.9 49
78 0.92 9
79 24.1 241
80 7.1 71
81 26.5 265
82 1.74 17
83 13.9 139
84 3.3 33
85 6.1 61
86 0.13 1
88 1.5 15
91 10.1 101
92 5.6 56
93 1.19 12
94 26.2 262
95 37.5 375
96 5.1 51
97 1.52 15
98 9.5 95
99 3.2 32
100 3.3 33
101 0.13 1
105 9.4 94
106 3.6 36
107 47.5 475
108 1.98 20
109 14.5 145
110 8.9 89
111 21.5 215
112 0.33 3
113 3.3 33
114 1.7 17
117 1.5 15
118 0.2 2
119 5.7 57
120 6.3 63
121 33.4 334
122 1.73 17
123 13.3 133
124 15.9 159
125 11.1 111
126 0.23 2
127 2.1 21
128 1.6 16
129 1.8 18
131 0.28 3
132 3.4 34
133 12.8 128
134 3.3 33
135 1.5 15
136 10.3 103
137 8.6 86
138 2.9 29
139 0.83 8
140 2.7 27
141 1.4 14
143 2.3 23
144 0.13 1
145 3 30
146 2.6 26
147 20.9 209
148 0.68 7
149 9.4 94
150 3.9 39
151 14.3 143
152 0.63 6
155 2.4 24
159 6.9 69
160 2.2 22
161 0.51 5
162 2.6 26
163 9.4 94
164 4.7 47
165 0.33 3
166 2.5 25
167 6.5 65
168 2 20
169 0.12 1
171 2.2 22
172 1.2 12
173 2.8 28
174 0.13 1
175 7.5 75
176 2.1 21
177 3.2 32
178 0.18 2
179 4 40
180 3.9 39
181 2.1 21
185 0.12 1
187 2 20
188 3 30
189 4.1 41
190 0.15 2
191 3.4 34
192 3.7 37
193 7 70
194 0.12 1
197 1.2 12
201 2.6 26
203 2.1 21
204 0.13 1
205 2.4 24
206 1.9 19
207 2.1 21
209 0.22 2
210 1.3 13
215 1.7 17
218 1.3 13
219 0.21 2
220 1.1 11
221 1.6 16
228 1 10
229 1.01 10
230 4.6 46
231 3.3 33
243 2 20
245 0.13 1
247 1.9 19
248 1.7 17
259 3.3 33
263 0.12 1
272 2 20
273 1.5 15
274 5.9 59
275 0.15 2
277 2 20
290 1.8 18
292 19.7 197
293 3.9 39
//
system version 2.2.8-SNAPSHOT