MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004585
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004585
RECORD_TITLE: ETHYL2-METHOXY-6(1-PENTDECENYL)BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL2-METHOXY-6(1-PENTDECENYL)BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H40O3
CH$EXACT_MASS: 388.29775
CH$SMILES: CCCCCCCCCCCCCC=Cc(c1)c(C(=O)OCC)c(OC)cc1
CH$IUPAC: InChI=1S/C25H40O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(27-3)24(22)25(26)28-5-2/h17-21H,4-16H2,1-3H3/b19-17+
CH$LINK: INCHIKEY
JUWPXQAVBPMMNP-HTXNQAPBSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-0a4l-1963000000-a07041eb831b561e1701
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
40 1.93 19
43 0.79 8
44 0.14 1
45 0.89 9
55 0.9 9
56 0.32 3
57 1.53 15
67 0.69 7
69 1.52 15
70 0.38 4
71 0.89 9
81 1.19 12
83 1.36 14
85 0.38 4
91 0.28 3
95 0.81 8
97 1 10
121 2.04 20
122 0.86 9
123 0.35 4
128 0.36 4
129 0.96 10
130 0.35 4
131 0.33 3
132 1.23 12
133 0.4 4
135 0.5 5
145 0.83 8
146 1.46 15
147 5.71 57
148 5.37 54
149 1.62 16
150 0.59 6
155 0.28 3
156 0.85 9
157 0.42 4
158 0.41 4
159 1.94 19
160 2 20
161 5.89 59
162 1.01 10
163 3.95 40
164 1.97 20
165 1.41 14
166 0.51 5
170 0.31 3
171 0.38 4
172 0.33 3
173 3.11 31
177 9.5 95
178 1.59 16
179 0.6 6
183 0.38 4
185 0.58 6
186 0.35 4
187 12.58 126
188 5.33 53
189 1.89 19
190 0.44 4
191 0.83 8
192 6.05 61
193 1.47 15
194 12.93 129
195 1.61 16
197 0.04 0
199 0.9 9
200 0.33 3
201 5.37 54
202 1.37 14
203 0.53 5
205 34.59 346
206 7.36 74
207 1.48 15
211 0.51 5
213 0.5 5
215 3.21 32
216 0.78 8
219 4.53 45
220 2.85 29
221 0.48 5
229 0.1 1
230 0.37 4
233 1.41 14
234 0.47 5
243 0.31 3
247 0.76 8
248 0.31 3
261 1.13 11
262 0.28 3
275 0.88 9
276 0.28 3
289 0.56 6
303 0.41 4
313 0.38 4
315 1.23 12
316 0.35 4
317 0.46 5
324 0.31 3
327 0.31 3
331 0.46 5
340 0.35 4
341 0.88 9
342 3.66 37
343 8.56 86
344 2.22 22
345 0.57 6
359 12.2 122
360 3.18 32
361 0.52 5
387 0.35 4
390 0.9 9
//