MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009652
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009652
RECORD_TITLE: ETHYL 4-PHENOXYBENZOATE; 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$NAME: ETHYL 4-PHENOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H14O3
CH$EXACT_MASS: 242.09429
CH$SMILES: CCOC(=O)c(c2)ccc(c2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O3/c1-2-17-15(16)12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11H,2H2,1H3
CH$LINK: INCHIKEY
GJDBBHASMUCGME-UHFFFAOYSA-N
AC$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: splash10-0007-1960000000-fcc5a4fd4c8c38abd382
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
29 4.5 45
40 1.5 15
43 1.9 19
44 0.79 8
45 3.2 32
57 3.2 32
65 2.2 22
71 0.13 1
77 5.7 57
85 1.1 11
91 13.8 138
92 0.27 3
94 1 10
104 1.6 16
105 11.9 119
106 0.11 1
111 2.5 25
115 3.8 38
119 10.8 108
120 0.32 3
121 1.7 17
127 1.8 18
133 1.6 16
136 0.31 3
139 10.4 104
140 1.5 15
141 14.7 147
142 0.25 3
147 1.7 17
149 2.8 28
150 1 10
155 0.38 4
156 4.7 47
158 1.8 18
164 7.7 77
165 0.1 1
166 1.3 13
168 1.8 18
169 2.8 28
170 0.18 2
173 2.5 25
178 4 40
184 4.5 45
185 0.1 1
186 1.9 19
190 1 10
197 96.8 968
198 1.89 19
199 2.2 22
200 4.1 41
214 26.7 267
215 0.38 4
218 1 10
227 3.1 31
241 1.4 14
242 99.99 999
243 17 170
244 2 20
//