MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007951
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007951
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOVARERATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOVARERATE
CH$NAME: GERANYL ISOVARERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O2
CH$EXACT_MASS: 238.19328
CH$SMILES: CC(C)=CCCC(C)=C([H])COC(=O)CC(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
CH$LINK: INCHIKEY
SOUKTGNMIRUIQN-NTEUORMPSA-N
CH$LINK: COMPTOX
DTXSID10883184
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
PK$SPLASH: splash10-0udj-2900000000-70dc8162c01d7ba182b2
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
32 1.93 19
42 2.45 25
45 7.05 71
57 1.32 13
58 6.76 68
59 22.11 221
60 5.68 57
65 1.04 10
67 1.61 16
70 5.39 54
71 1.89 19
73 2.25 23
83 7.21 72
84 1.65 17
85 3.46 35
87 1.12 11
97 1.69 17
98 3.38 34
99 3.1 31
101 99.99 999
102 5.84 58
110 1.77 18
111 1.93 19
112 4.14 41
113 1.49 15
114 15.51 155
115 7.85 79
121 1.77 18
123 1.24 12
124 2.78 28
125 2.37 24
129 1 10
133 2.01 20
135 27.8 278
136 3.14 31
137 4.47 45
138 2.78 28
139 2.09 21
140 2.61 26
142 2.57 26
145 1.49 15
148 54.47 545
149 3.46 35
150 1.89 19
151 1.93 19
152 1.81 18
153 2.9 29
154 1.69 17
162 4.31 43
164 1.49 15
166 1.81 18
168 1.36 14
169 1.08 11
176 2.41 24
177 1.49 15
179 2.94 29
180 1.73 17
181 1.32 13
194 1.12 11
196 1.04 10
206 1.12 11
208 1 10
218 1.28 13
235 1.36 14
236 1 10
237 3.82 38
239 1.36 14
305 1 10
306 1.2 12
//
system version 2.2.6-SNAPSHOT