MassBank Record: JP002629



 BETA-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: JP002629
RECORD_TITLE: BETA-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$NAME: BETA-CHLORO-N-BUTYRIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H9ClO2 CH$EXACT_MASS: 136.02911 CH$SMILES: COC(=O)CC(C)Cl CH$IUPAC: InChI=1S/C5H9ClO2/c1-4(6)3-5(7)8-2/h4H,3H2,1-2H3
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$SPLASH: splash10-0pb9-9500000000-14f944016ede404f2132 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 42 21.6 216 51 5.6 56 58 8.8 88 59 99.99 999 63 10.4 104 69 17.6 176 71 5.6 56 72 0.8 8 77 44.8 448 79 15.2 152 85 1.6 16 100 0.88 9 101 99.2 992 105 24.8 248 107 8.8 88 //