ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003499
RECORD_TITLE: 2-(3-BENZOYLPHENYL)BUTYRIC 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$NAME: 2-(3-BENZOYLPHENYL)BUTYRIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18O3
CH$EXACT_MASS: 282.12559
CH$SMILES: COC(=O)C(CC)c(c2)cc(cc2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H18O3/c1-3-16(18(20)21-2)14-10-7-11-15(12-14)17(19)13-8-5-4-6-9-13/h4-12,16H,3H2,1-2H3
CH$LINK: INCHIKEY GHPPUPSJPYEIDF-UHFFFAOYSA-N
AC$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: splash10-05gi-0690000000-10236b801c29acc0f281
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  43 0.2 2
  45 0.28 3
  56 0.11 1
  57 0.1 1
  59 1.21 12
  69 0.32 3
  70 0.22 2
  71 0.32 3
  77 6.68 67
  82 0.17 2
  91 0.6 6
  97 0.13 1
  105 79.17 792
  106 6 60
  107 0.25 3
  109 0.15 2
  111 0.19 2
  115 0.6 6
  116 0.2 2
  117 3.12 31
  118 1.04 10
  119 0.53 5
  131 2.64 26
  132 0.26 3
  133 0.16 2
  135 0.51 5
  145 4.29 43
  146 1.68 17
  147 0.28 3
  149 0.2 2
  152 0.18 2
  153 0.14 1
  165 0.68 7
  166 0.15 2
  167 8.9 89
  168 1.3 13
  171 5.08 51
  173 0.18 2
  175 0.24 2
  177 3.5 35
  178 0.59 6
  179 0.28 3
  180 0.26 3
  181 4.24 42
  182 0.75 8
  183 0.11 1
  193 0.36 4
  194 1 10
  195 50.81 508
  196 8.44 84
  197 0.8 8
  203 0.12 1
  205 30.31 303
  206 5.1 51
  207 1.19 12
  208 0.59 6
  209 0.21 2
  219 0.15 2
  221 0.26 3
  222 5.91 59
  223 99.99 999
  224 20.42 204
  225 3.22 32
  226 0.43 4
  250 0.2 2
  253 0.86 9
  254 4.22 42
  255 0.69 7
  267 0.55 6
  282 57.92 579
  283 10.17 102
  284 1.39 14
//
