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
//