ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009643
RECORD_TITLE: ETHYL 4-CHLORO-3,5-DIMETHYLBENZOATE; 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$NAME: ETHYL 4-CHLORO-3,5-DIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃ClO₂
CH$EXACT_MASS: 212.06041
CH$SMILES: CCOC(=O)c(c1)cc(C)c(Cl)c(C)1
CH$IUPAC: InChI=1S/C11H13ClO2/c1-4-14-11(13)9-5-7(2)10(12)8(3)6-9/h5-6H,4H2,1-3H3
CH$LINK: INCHIKEY LNDNLCSHAZPLIV-UHFFFAOYSA-N

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$SPLASH: splash10-014i-1910000000-dd3fe7da8707bc3600bc
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  27 4.5 45
  29 4 40
  39 3.1 31
  45 0.1 1
  50 1.5 15
  51 6.4 64
  52 1.2 12
  53 0.17 2
  62 1 10
  63 3.7 37
  65 1.6 16
  75 0.2 2
  76 1 10
  77 18.8 188
  78 3.9 39
  91 0.15 2
  101 1.5 15
  102 3.4 34
  103 18.7 187
  104 0.6 6
  105 2.3 23
  138 1.2 12
  139 15.4 154
  140 0.2 2
  141 5 50
  149 4.4 44
  153 1 10
  167 99.99 999
  168 14.1 141
  169 33.3 333
  170 4.5 45
  177 0.34 3
  184 32 320
  185 3.5 35
  186 10.6 106
  197 0.57 6
  199 1.7 17
  211 1.2 12
  212 38.2 382
  213 0.5 5
  214 12.9 129
  215 1.5 15
//