MassBank Record: JP002301



 4-METHYL-2-HEXANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002301
RECORD_TITLE: 4-METHYL-2-HEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-2-HEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CCC(C)CC(C)=O CH$IUPAC: InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-0a4l-9000000000-145f2e0d11a8d4f0c011 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 40 1.1 11 41 38.52 385 42 1.96 20 43 55.1 551 45 2.82 28 53 1.61 16 55 7.77 78 56 99.99 999 57 79.1 791 58 3.66 37 59 2.43 24 69 3.34 33 70 1.45 15 71 1.4 14 73 1.25 13 74 1.67 17 83 1.19 12 84 11 110 85 46.83 468 86 3.26 33 114 3.75 38 //