MassBank Record: JP002106



 METHYL ACETO ACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002106
RECORD_TITLE: METHYL ACETO ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL ACETO ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H8O3 CH$EXACT_MASS: 116.04734 CH$SMILES: COC(=O)CC(C)=O CH$IUPAC: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-0006-9000000000-9801f4fde1f8c64f6baf PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 14 1.77 18 15 13.13 131 26 2.3 23 27 4.6 46 28 3.94 39 29 7.22 72 31 9.91 99 32 5.91 59 39 1.77 18 41 3.74 37 42 11.23 112 43 99.99 999 44 4.73 47 57 2.1 21 58 2.04 20 59 9.32 93 69 13.72 137 74 5.98 60 84 9.19 92 85 7.22 72 88 3.22 32 101 2.82 28 116 3.61 36 //