ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009655
RECORD_TITLE: ETHYL 4-PHENOXYPHENYLACETATE; 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$NAME: ETHYL 4-PHENOXYPHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₆O₃
CH$EXACT_MASS: 256.10994
CH$SMILES: CCOC(=O)Cc(c2)ccc(c2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C16H16O3/c1-2-18-16(17)12-13-8-10-15(11-9-13)19-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
CH$LINK: INCHIKEY CPYLMUNOJSVCRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10544001

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$SPLASH: splash10-001i-3930000000-e27affa5696c313cb4c5
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 1.7 17
  29 5.2 52
  39 1.8 18
  43 0.12 1
  44 4.5 45
  50 1.1 11
  51 6.1 61
  55 0.12 1
  57 1.8 18
  63 1.6 16
  65 1 10
  76 0.11 1
  77 13.8 138
  78 2.2 22
  89 4.8 48
  90 0.3 3
  91 5 50
  92 3.3 33
  105 2.4 24
  107 0.61 6
  115 1.5 15
  119 1.3 13
  127 1 10
  128 0.11 1
  129 1.4 14
  149 1.4 14
  153 2.1 21
  154 0.16 2
  155 4.3 43
  164 1 10
  181 1.5 15
  183 99.99 999
  184 14.9 149
  185 1.2 12
  256 47.4 474
  257 0.85 9
  258 1 10
//