MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009628
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009628
RECORD_TITLE: ETHYL 4-BENZOYL-3,5-DIMETHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 4-BENZOYL-3,5-DIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18O3
CH$EXACT_MASS: 282.12559
CH$SMILES: CCOC(=O)c(c2)cc(C)c(c(C)2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H18O3/c1-4-21-18(20)15-10-12(2)16(13(3)11-15)17(19)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
CH$LINK: INCHIKEY
HIUGILYOVQDTAN-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-001i-2290000000-e0ff2ccff89c884e5887
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
26 1 10
27 5.6 56
29 13 130
39 0.18 2
40 1.1 11
41 1.3 13
43 5.7 57
44 0.31 3
45 2.7 27
51 5.3 53
53 1.4 14
63 0.11 1
65 1.7 17
76 1.7 17
77 40.8 408
78 0.85 9
79 2.6 26
89 1.2 12
91 4.1 41
93 0.18 2
102 1.4 14
103 10.5 105
104 7.9 79
105 4.74 47
106 3.8 38
115 1.1 11
121 3.6 36
131 0.31 3
132 6.8 68
133 4.7 47
149 9.5 95
150 0.2 2
152 1.4 14
165 8.4 84
166 4.3 43
176 0.3 3
177 16.9 169
178 6.6 66
179 3 30
181 0.17 2
191 2.8 28
192 4.8 48
193 4 40
194 0.75 8
195 1.8 18
204 4.4 44
205 23.8 238
206 0.36 4
207 3.2 32
208 16.7 167
209 18.4 184
210 0.36 4
221 2.4 24
222 6 60
223 1.1 11
235 1.29 13
236 8.4 84
237 20.7 207
238 4.7 47
239 0.17 2
250 1.2 12
252 1.7 17
253 4.4 44
254 0.18 2
264 10 100
265 4.2 42
267 6.4 64
268 0.15 2
281 67.2 672
282 99.99 999
283 20.2 202
284 2.6 26
//