ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005275
RECORD_TITLE: CHLOROACETIC ACID METHYL 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$NAME: CHLOROACETIC ACID METHYL ESTER
CH$NAME: METHYL CHLOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₅ClO₂
CH$EXACT_MASS: 107.99781
CH$SMILES: COC(=O)CCl
CH$IUPAC: InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
CH$LINK: INCHIKEY QABLOFMHHSOFRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041576

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$SPLASH: splash10-0a4i-9000000000-64d1f3bf476efbaa05ae
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  13 1.85 19
  14 6.45 65
  15 43.33 433
  27 1.37 14
  28 6.08 61
  29 20.35 204
  30 1.26 13
  31 3.28 33
  41 1.79 18
  42 12.42 124
  43 1.32 13
  45 2.91 29
  47 1.79 18
  48 3.75 38
  49 48.35 484
  50 1.69 17
  51 15.59 156
  59 99.99 999
  60 2.38 24
  64 19.18 192
  66 5.97 60
  76 2.59 26
  77 31.18 312
  78 1.42 14
  79 9.83 98
  108 10.41 104
  110 3.33 33
//