MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003531
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003531
RECORD_TITLE: METHYL 2-(3-BENZOYLPHENYL)PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 2-(3-BENZOYLPHENYL)PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H16O3
CH$EXACT_MASS: 268.10994
CH$SMILES: COC(=O)C(C)c(c2)cc(cc2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3
CH$LINK: INCHIKEY
BIOCOYIPJQMGTN-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-0pdi-9670000000-cc76fd5064087c5712db
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
39 4.6 46
41 2.8 28
43 13.9 139
44 2 20
50 3.9 39
51 16.1 161
52 3.5 35
53 0.25 3
55 3 30
56 1.6 16
57 3.1 31
58 0.31 3
59 4.9 49
63 3.7 37
65 1.9 19
69 0.23 2
75 2.3 23
76 5.1 51
77 85 850
78 1.27 13
79 2 20
80 2.5 25
89 2.1 21
91 0.26 3
102 2.9 29
103 23.3 233
104 11.4 114
105 9.85 99
106 7.7 77
131 7.4 74
152 2.1 21
163 0.18 2
165 3.8 38
166 1.8 18
167 1.3 13
176 0.17 2
178 1.9 19
181 5.7 57
191 26.1 261
192 0.37 4
194 5.2 52
207 1.5 15
208 4.9 49
209 99.99 999
210 17.7 177
211 2 20
236 2.3 23
268 3.5 35
269 6.7 67
//
system version 2.2.8-SNAPSHOT