ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009634
RECORD_TITLE: ETHYL 3-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$NAME: ETHYL 3-PHENYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₂
CH$EXACT_MASS: 226.09938
CH$SMILES: CCOC(=O)c(c2)cc(cc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c1-2-17-15(16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
CH$LINK: INCHIKEY UWJOIAKPUPVYPW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10378580

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$SPLASH: splash10-0fc0-2930000000-2d722dd9a33242c9d8ac
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 6 60
  29 8.1 81
  39 0.21 2
  40 1.3 13
  43 1.4 14
  44 2.7 27
  45 0.45 5
  50 5.8 58
  51 13 130
  52 1.2 12
  63 0.36 4
  65 1 10
  74 3 30
  75 7 70
  76 1.78 18
  77 28.1 281
  78 3 30
  91 9.4 94
  101 0.11 1
  102 1.8 18
  104 1.1 11
  105 60.5 605
  106 0.66 7
  111 5.7 57
  113 2 20
  115 1.3 13
  122 1.82 18
  123 1.8 18
  126 3.1 31
  127 4.5 45
  139 1.65 17
  140 2.1 21
  141 5.6 56
  149 2.8 28
  150 2.16 22
  151 13.5 135
  152 46.2 462
  153 40.4 404
  154 0.88 9
  156 7 70
  158 2.4 24
  181 92.5 925
  182 1.78 18
  183 1.9 19
  184 5.7 57
  186 1.9 19
  198 2.49 25
  199 3.7 37
  211 3.8 38
  226 99.99 999
  227 1.7 17
  228 1.9 19
//