ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003498
RECORD_TITLE: 2-(3-BENZOYLPHENYL)PROPIONIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-(3-BENZOYLPHENYL)PROPIONIC ACID METHYL ESTER
CH$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 M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-0690000000-6006308be9af08a924e5
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  41 0.23 2
  55 0.37 4
  57 0.19 2
  59 0.95 10
  69 0.19 2
  70 0.17 2
  77 9.66 97
  78 0.79 8
  81 0.14 1
  82 0.24 2
  91 0.22 2
  103 6.62 66
  104 3.61 36
  105 65.53 655
  106 5.49 55
  107 0.28 3
  111 0.11 1
  119 0.54 5
  120 0.17 2
  123 0.13 1
  131 4.75 48
  132 1.84 18
  133 0.42 4
  135 0.35 4
  147 0.11 1
  148 0.11 1
  151 0.28 3
  152 0.24 2
  153 0.27 3
  162 0.31 3
  163 2.35 24
  164 0.42 4
  165 1.32 13
  166 1.04 10
  167 0.15 2
  178 0.1 1
  179 0.48 5
  180 1.29 13
  181 6.62 66
  182 0.9 9
  189 0.17 2
  190 0.14 1
  191 25.16 252
  192 3.41 34
  193 0.5 5
  194 5.04 50
  195 1.07 11
  196 0.14 1
  203 0.14 1
  207 1.15 12
  208 7.54 75
  209 99.99 999
  210 20.22 202
  211 2.04 20
  212 0.15 2
  213 0.14 1
  223 0.71 7
  224 1.3 13
  225 0.44 4
  235 0.15 2
  236 3.54 35
  237 0.6 6
  253 0.24 2
  268 39.89 399
  269 9.32 93
  270 1.03 10
//
