ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009658
RECORD_TITLE: ETHYL 4-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$NAME: ETHYL 4-PHENYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₂
CH$EXACT_MASS: 226.09938
CH$SMILES: CCOC(=O)c(c2)ccc(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
CH$LINK: INCHIKEY FFQZMOHAQYZTNR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10978903

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$SPLASH: splash10-0fai-3900000000-34097a960e9b95c390ef
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  26 4.2 42
  27 23 230
  28 15.8 158
  29 3.28 33
  30 2.2 22
  38 1.8 18
  39 5.1 51
  42 0.11 1
  43 9.8 98
  44 1.8 18
  45 9 90
  50 0.55 6
  51 7 70
  52 1.6 16
  62 1.4 14
  63 0.44 4
  74 3.6 36
  75 5.8 58
  76 12.2 122
  77 0.6 6
  78 1 10
  87 2.7 27
  89 1.7 17
  91 0.47 5
  98 1 10
  99 1.1 11
  101 2.5 25
  102 0.59 6
  103 1.1 11
  113 1.3 13
  115 2.9 29
  125 0.11 1
  126 9.2 92
  127 9.5 95
  128 1.7 17
  139 0.11 1
  150 7.3 73
  151 23.9 239
  152 78.7 787
  153 4.04 40
  154 8.6 86
  155 1 10
  167 1.1 11
  180 0.12 1
  181 99.99 999
  182 18 180
  183 1.9 19
  198 3.27 33
  199 5.1 51
  211 1.4 14
  225 1.8 18
  226 6.06 61
  227 10.1 101
  228 1.5 15
//