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MassBank Record: JP002625

GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP002625
RECORD_TITLE: GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9ClO2
CH$EXACT_MASS: 136.02911
CH$SMILES: COC(=O)CCCCl
CH$IUPAC: InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
CH$LINK: INCHIKEY ZZUYIRISBMWFMV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7062873

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0a4i-9400000000-0ba1698874baf8327ca1
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 15.6 156
  41 9.4 94
  42 10.6 106
  49 1.73 17
  51 3.9 39
  55 12.2 122
  59 66.4 664
  60 0.67 7
  69 4.4 44
  74 84.3 843
  75 17.8 178
  76 0.33 3
  77 48 480
  79 13.9 139
  105 99.99 999
  106 0.39 4
  107 32.4 324
//

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