MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009635
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009635
RECORD_TITLE: ETHYL 3-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$NAME: ETHYL 3-PHENOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H14O3
CH$EXACT_MASS: 242.09429
CH$SMILES: CCOC(=O)c(c2)cc(cc2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O3/c1-2-17-15(16)12-7-6-10-14(11-12)18-13-8-4-3-5-9-13/h3-11H,2H2,1H3
CH$LINK: INCHIKEY
LBKYKBFMRILRCT-UHFFFAOYSA-N
AC$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: splash10-0a6u-5920000000-fd77f10a60482e261b02
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
26 1.4 14
27 8.3 83
29 10.7 107
38 0.16 2
39 4.9 49
40 1 10
43 1.9 19
44 0.22 2
45 6.7 67
50 11.5 115
51 24 240
52 0.18 2
57 1.4 14
58 1.1 11
60 1.1 11
63 0.36 4
64 3 30
65 4.7 47
71 1.2 12
74 0.33 3
75 8 80
76 8.8 88
77 53.5 535
78 0.57 6
79 1 10
91 1.9 19
92 2.6 26
94 0.13 1
98 3.1 31
99 5.3 53
104 1.3 13
105 99.99 999
106 11 110
107 1.1 11
111 7.8 78
112 0.1 1
113 2.8 28
115 9.8 98
116 1 10
122 3.17 32
123 3.1 31
135 1.4 14
139 24.8 248
140 0.37 4
141 22.5 225
142 4 40
149 3.6 36
150 3.2 32
151 4 40
156 10 100
158 3.2 32
168 0.48 5
169 16.4 164
170 6.8 68
184 7.8 78
185 0.1 1
186 2.8 28
195 3 30
196 9 90
197 5.47 55
198 9.6 96
213 1.4 14
214 7 70
215 0.1 1
227 2.7 27
241 1.1 11
242 76.7 767
243 1.29 13
244 1.6 16
//