ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005276
RECORD_TITLE: CHLOROACETIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CHLOROACETIC ACID ETHYL ESTER
CH$NAME: ETHYL CHLOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₇ClO₂
CH$EXACT_MASS: 122.01346
CH$SMILES: CCOC(=O)CCl
CH$IUPAC: InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
CH$LINK: INCHIKEY VEUUMBGHMNQHGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4026715

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-004i-9000000000-c5cc066f10ab36c547f5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  14 2.64 26
  15 2.85 29
  26 2.59 26
  27 19.36 194
  28 23.27 233
  29 99.99 999
  30 2.17 22
  31 1.32 13
  42 7.72 77
  43 3.17 32
  45 4.12 41
  48 1.37 14
  49 14.44 144
  51 4.44 44
  60 1.27 13
  73 1.69 17
  76 1.16 12
  77 29.83 298
  78 1 10
  79 9.68 97
  94 3.96 40
  95 1.8 18
  96 1.22 12
  107 1.85 19
  122 1.37 14
//