MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006316
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006316
RECORD_TITLE: LABDA-7,14-DIEN-13(R)-OL; 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$NAME: LABDA-7,14-DIEN-13(R)-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H34O
CH$EXACT_MASS: 290.26097
CH$SMILES: C=CC(C)(O)CCC([H])(C(C)=2)C(C)(C1)C([H])(CC([H])2)C(C)(C)CC1
CH$IUPAC: InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,9,16-17,21H,1,8,10-14H2,2-6H3/t16-,17-,19-,20+/m0/s1
CH$LINK: INCHIKEY
YHUUQRPBUXILLV-QGZVKYPTSA-N
AC$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: splash10-0k9x-9720000000-4425b2b900838b5bcc5c
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
40 4.5 45
41 60.5 605
42 5 50
43 3.65 37
44 2.5 25
45 3.4 34
46 1 10
47 2.75 28
48 14.3 143
49 9.5 95
50 5 50
51 0.35 4
52 2 20
53 15.5 155
54 3.3 33
55 4.77 48
56 5.5 55
57 7.5 75
58 2 20
59 0.35 4
65 7 70
66 3.1 31
67 27.2 272
68 1.14 11
69 38.5 385
70 5.5 55
71 22.1 221
72 0.25 3
73 2.1 21
77 16.5 165
78 4.2 42
79 2.4 24
80 51 510
81 45 450
82 11.5 115
83 5.34 53
84 7.5 75
85 30.5 305
87 9 90
88 0.1 1
91 29.5 295
92 10.5 105
93 45.5 455
94 1.25 13
95 35.5 355
96 8.4 84
97 7.5 75
98 0.2 2
103 2.8 28
104 1.5 15
105 26.5 265
106 1.15 12
107 32.2 322
108 22.5 225
109 52.5 525
110 0.8 8
111 5.5 55
112 2.5 25
113 1.5 15
114 0.12 1
115 3.4 34
116 2.5 25
117 5.4 54
118 0.25 3
119 28.5 285
120 13.1 131
121 30.5 305
122 1.82 18
123 21.5 215
124 11.5 115
125 5.5 55
126 0.18 2
127 1.5 15
128 2.5 25
129 2.5 25
130 0.15 2
131 7 70
132 3.5 35
133 24.5 245
134 1.15 12
135 18.5 185
136 9.5 95
137 11.5 115
138 0.38 4
139 2.2 22
141 1 10
143 2.1 21
144 0.18 2
145 8.4 84
146 3.5 35
147 11.8 118
148 1.58 16
149 8.5 85
150 3.2 32
151 4.5 45
152 0.18 2
159 6 60
160 3 30
161 21.5 215
162 0.7 7
163 5.5 55
164 2.3 23
165 1.5 15
166 0.23 2
167 1.5 15
173 4 40
174 3 30
175 0.5 5
176 4 40
177 4.3 43
178 1.8 18
179 0.18 2
187 13 130
188 3 30
189 15.5 155
190 0.4 4
191 8.4 84
192 2.5 25
201 2.5 25
202 1.15 12
203 6.2 62
204 99.99 999
205 25 250
206 0.31 3
218 3.2 32
219 1.5 15
220 2.6 26
221 0.18 2
245 2.5 25
246 1.8 18
257 5.5 55
258 0.25 3
272 4.9 49
273 2.5 25
290 2 20
//