ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005277
RECORD_TITLE: CHLOROACETIC ACID ISOPROPYL 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$NAME: CHLOROACETIC ACID ISOPROPYL ESTER
CH$NAME: ISOPROPYL CHLOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉ClO₂
CH$EXACT_MASS: 136.02911
CH$SMILES: CC(C)OC(=O)CCl
CH$IUPAC: InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
CH$LINK: INCHIKEY VODRWDBLLGYRJT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059316

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$SPLASH: splash10-00kf-9000000000-c6374d4ba9548e91edc9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  14 2.33 23
  15 5.05 51
  26 1.44 14
  27 19 190
  28 1.44 14
  29 2.5 25
  31 1.55 16
  38 1.11 11
  39 8.39 84
  40 1.78 18
  41 28.66 287
  42 10.73 107
  43 99.99 999
  44 3.44 34
  45 7.11 71
  48 1.11 11
  49 17.22 172
  51 5.33 53
  59 8.11 81
  66 1 10
  67 61.94 619
  68 1.55 16
  69 19.33 193
  95 4.94 49
  97 1.67 17
  121 23.22 232
  122 1.05 11
  123 7.55 76
//