ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009596
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$SPLASH: splash10-052r-1900000000-a97c89ba6953c002dca1
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  26 1.5 15
  27 8.9 89
  29 11.1 111
  30 0.1 1
  39 1 10
  43 1.3 13
  45 6.3 63
  50 1.01 10
  51 7.7 77
  65 2.1 21
  74 5.3 53
  75 2.67 27
  76 9.5 95
  77 10.5 105
  78 1 10
  85 0.29 3
  87 1 10
  104 2 20
  105 16.5 165
  106 0.17 2
  110 1.1 11
  111 39.7 397
  112 4.3 43
  113 1.28 13
  114 1.2 12
  122 5 50
  139 99.99 999
  140 1.25 13
  141 33 330
  142 3.8 38
  149 3.7 37
  150 0.52 5
  156 48.2 482
  157 4 40
  158 15.7 157
  159 0.12 1
  166 3.4 34
  168 1 10
  169 3.2 32
  183 0.16 2
  184 36.3 363
  185 4.1 41
  186 12.1 121
//