MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007954
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007954
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BENZOATE; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BENZOATE
CH$NAME: GERANYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H22O2
CH$EXACT_MASS: 258.16198
CH$SMILES: CC(C)=CCCC(C)=C([H])COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
CH$LINK: INCHIKEY
YDVXYTIIPGKIJP-NTCAYCPXSA-N
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: splash10-00di-3900000000-708e71e5538c14de5b0f
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
33 2.09 21
39 1.82 18
42 3.36 34
45 1.35 14
59 6.9 69
60 2.59 26
61 2.25 23
69 3.04 30
70 8.93 89
71 5.84 58
72 5.36 54
73 6.74 67
77 20.73 207
78 1.87 19
83 1.1 11
84 6.45 65
85 2 20
91 2.45 25
97 1.62 16
101 1.24 12
106 2.41 24
107 1.03 10
111 1.28 13
114 1.17 12
115 2.39 24
118 1.73 17
119 2.16 22
120 1.15 12
121 99.99 999
122 8.16 82
123 2.45 25
124 3.13 31
125 1.62 16
130 0.96 10
131 0.96 10
132 1.98 20
133 1.1 11
134 8.59 86
135 14.79 148
136 11.18 112
137 3.89 39
140 2.3 23
141 1.19 12
144 1.69 17
145 2.23 22
146 1.55 16
147 1.35 14
148 3.6 36
149 3.2 32
150 5.57 56
151 3.45 35
152 0.99 10
153 2.79 28
154 1.93 19
157 1.19 12
160 1.26 13
161 5.7 57
162 6.45 65
164 2.57 26
165 2.09 21
166 3.56 36
167 1.6 16
168 3.24 32
176 2.68 27
177 1.8 18
179 1.75 18
182 1.64 16
186 1.03 10
188 1.51 15
189 1.24 12
190 2.09 21
193 1.17 12
194 0.99 10
196 1.39 14
202 1.01 10
204 1.1 11
207 1.57 16
210 1.51 15
220 1.08 11
237 1.24 12
252 1.75 18
272 1.01 10
279 1.17 12
298 1.75 18
299 1.57 16
300 3.22 32
301 1.03 10
//
system version 2.2.6-SNAPSHOT