MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009658
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009658
RECORD_TITLE: ETHYL 4-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$NAME: ETHYL 4-PHENYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H14O2
CH$EXACT_MASS: 226.09938
CH$SMILES: CCOC(=O)c(c2)ccc(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
CH$LINK: INCHIKEY
FFQZMOHAQYZTNR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10978903
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$SPLASH: splash10-0fai-3900000000-34097a960e9b95c390ef
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
26 4.2 42
27 23 230
28 15.8 158
29 3.28 33
30 2.2 22
38 1.8 18
39 5.1 51
42 0.11 1
43 9.8 98
44 1.8 18
45 9 90
50 0.55 6
51 7 70
52 1.6 16
62 1.4 14
63 0.44 4
74 3.6 36
75 5.8 58
76 12.2 122
77 0.6 6
78 1 10
87 2.7 27
89 1.7 17
91 0.47 5
98 1 10
99 1.1 11
101 2.5 25
102 0.59 6
103 1.1 11
113 1.3 13
115 2.9 29
125 0.11 1
126 9.2 92
127 9.5 95
128 1.7 17
139 0.11 1
150 7.3 73
151 23.9 239
152 78.7 787
153 4.04 40
154 8.6 86
155 1 10
167 1.1 11
180 0.12 1
181 99.99 999
182 18 180
183 1.9 19
198 3.27 33
199 5.1 51
211 1.4 14
225 1.8 18
226 6.06 61
227 10.1 101
228 1.5 15
//