ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005278
RECORD_TITLE: CHLOROACETIC ACID BUTYL 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$NAME: CHLOROACETIC ACID BUTYL ESTER
CH$NAME: BUTYL CHLOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁ClO₂
CH$EXACT_MASS: 150.04476
CH$SMILES: CCCCOC(=O)CCl
CH$IUPAC: InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
CH$LINK: INCHIKEY YJRGMUWRPCPLNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060437

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$SPLASH: splash10-0a6r-9000000000-bff09048d89d45767b35
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  14 1.55 16
  15 2.42 24
  26 2.13 21
  27 18.14 181
  28 10.13 101
  29 50.87 509
  30 1.09 11
  31 4.03 40
  39 9.44 94
  40 1.78 18
  41 57.25 573
  42 9.33 93
  43 9.91 99
  48 1.04 10
  49 17.05 171
  51 5.13 51
  53 1 10
  55 12.27 123
  56 99.99 999
  57 73.6 736
  58 3.17 32
  60 1.84 18
  71 2.99 30
  73 1.32 13
  76 1.41 14
  77 40.17 402
  78 1.38 14
  79 12.38 124
  95 5.64 56
  97 1.78 18
  107 5.3 53
  109 1.9 19
  121 1.03 10
//