MassBank Record: JP000261



 3,3-DIMETHYL-2-BUTANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000261
RECORD_TITLE: 3,3-DIMETHYL-2-BUTANONE; 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$NAME: 3,3-DIMETHYL-2-BUTANONE CH$NAME: PINACOLONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O CH$EXACT_MASS: 100.08882 CH$SMILES: CC(=O)C(C)(C)C CH$IUPAC: InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
AC$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: splash10-0a4i-9000000000-4448e3d90094a8314427 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 14 1 10 15 8.6 86 26 1.1 11 27 0.89 9 28 1.9 19 29 41.4 414 38 1.4 14 39 1.47 15 40 2.1 21 41 42.7 427 42 3.8 38 43 3.69 37 50 1 10 51 1.1 11 53 1.2 12 55 0.38 4 56 7.4 74 57 99.99 999 58 4.6 46 67 0.1 1 85 3.8 38 100 20 200 101 1.8 18 //