ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009633
RECORD_TITLE: ETHYL 3-CHLOROBENZOATE; 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$NAME: ETHYL 3-CHLOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉ClO₂
CH$EXACT_MASS: 184.02911
CH$SMILES: CCOC(=O)c(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY LVFRSNCBCHABAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10150181

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$SPLASH: splash10-052r-3900000000-de5d368c602964d1c6d4
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 1.9 19
  27 9.8 98
  29 12.3 123
  38 0.18 2
  39 1.5 15
  43 1.8 18
  45 8 80
  50 1.5 15
  51 6.9 69
  61 1.3 13
  63 1 10
  65 0.2 2
  73 1.8 18
  74 8.3 83
  75 34 340
  76 1.03 10
  77 3.8 38
  84 1.1 11
  85 3.7 37
  87 0.12 1
  104 1.7 17
  105 1.2 12
  110 1.4 14
  111 4.27 43
  112 4.7 47
  113 14 140
  114 1.2 12
  139 99.99 999
  140 12.7 127
  141 33.8 338
  142 4 40
  149 0.32 3
  156 45 450
  157 3.8 38
  158 15 150
  159 0.12 1
  166 3.3 33
  169 3 30
  183 1.2 12
  184 3 30
  185 3.4 34
  186 10 100
//