ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009597
RECORD_TITLE: ETHYL 4-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$NAME: ETHYL 4-CHLOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉ClO₂
CH$EXACT_MASS: 184.02911
CH$SMILES: CCOC(=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
CH$LINK: COMPTOX DTXSID9064631
CH$LINK: INCHIKEY RWBYCMPOFNRISR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:81785

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$SPLASH: splash10-000i-3900000000-86b6e5da9317d475b405
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  26 1.2 12
  27 8 80
  29 10 100
  43 0.15 2
  45 4.2 42
  50 10.1 101
  51 4.9 49
  65 0.19 2
  73 1 10
  74 5.7 57
  75 29 290
  76 0.88 9
  77 3 30
  85 3.1 31
  87 1 10
  103 0.1 1
  104 3.6 36
  105 1.5 15
  110 1.2 12
  111 3.77 38
  112 3.8 38
  113 12.7 127
  139 99.99 999
  140 1.15 12
  141 34.8 348
  142 3.6 36
  149 3.6 36
  156 3.98 40
  157 3.2 32
  158 13.4 134
  169 1.7 17
  183 0.1 1
  184 26.5 265
  185 3 30
  186 9 90
//