MassBank Record: JP002574



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

ACCESSION: JP002574
RECORD_TITLE: METHYL ACETOACETATE; 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$NAME: METHYL ACETOACETATE CH$NAME: 3-OXOBUTANOIC ACID METHYL ESTER 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-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: splash10-0006-9000000000-e4481e7d9e6ac8fc177b PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 14 2.28 23 15 16.1 161 26 1.47 15 27 4.37 44 28 3.09 31 29 3.79 38 31 3.19 32 39 1.74 17 41 1.28 13 42 11.31 113 43 99.99 999 44 2.92 29 57 2.28 23 58 1.06 11 59 11.15 112 69 6.86 69 74 7.89 79 84 1.82 18 85 10.88 109 86 1.18 12 88 2.61 26 101 4.89 49 116 9.22 92 //