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) \n

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
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 //