MassBank Record: JP001807



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

ACCESSION: JP001807
RECORD_TITLE: ISOPENTYL METHYL KETONE; 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$NAME: ISOPENTYL METHYL KETONE CH$NAME: 5-METHYL-2-HEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CC(C)CCC(C)=O CH$IUPAC: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
AC$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: splash10-052f-9000000000-dbf6e4e2149ba1271e57 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 15 3.25 33 27 6.24 62 28 1.9 19 29 5.52 55 39 4.88 49 41 10.85 109 42 2.53 25 43 99.99 999 44 2.26 23 55 3.62 36 56 3.16 32 57 13.74 137 58 42.5 425 59 11.03 110 71 9.86 99 72 2.71 27 81 4.34 43 85 1.81 18 86 1.18 12 99 1.08 11 114 2.53 25 115 1.18 12 //