MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009634
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009634
RECORD_TITLE: ETHYL 3-PHENYLBENZOATE; 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$NAME: ETHYL 3-PHENYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H14O2
CH$EXACT_MASS: 226.09938
CH$SMILES: CCOC(=O)c(c2)cc(cc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c1-2-17-15(16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
CH$LINK: INCHIKEY
UWJOIAKPUPVYPW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10378580
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$SPLASH: splash10-0fc0-2930000000-2d722dd9a33242c9d8ac
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
26 1 10
27 6 60
29 8.1 81
39 0.21 2
40 1.3 13
43 1.4 14
44 2.7 27
45 0.45 5
50 5.8 58
51 13 130
52 1.2 12
63 0.36 4
65 1 10
74 3 30
75 7 70
76 1.78 18
77 28.1 281
78 3 30
91 9.4 94
101 0.11 1
102 1.8 18
104 1.1 11
105 60.5 605
106 0.66 7
111 5.7 57
113 2 20
115 1.3 13
122 1.82 18
123 1.8 18
126 3.1 31
127 4.5 45
139 1.65 17
140 2.1 21
141 5.6 56
149 2.8 28
150 2.16 22
151 13.5 135
152 46.2 462
153 40.4 404
154 0.88 9
156 7 70
158 2.4 24
181 92.5 925
182 1.78 18
183 1.9 19
184 5.7 57
186 1.9 19
198 2.49 25
199 3.7 37
211 3.8 38
226 99.99 999
227 1.7 17
228 1.9 19
//