MassBank Record: JP003224



 2-PROPYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003224
RECORD_TITLE: 2-PROPYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-PROPYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H18O2 CH$EXACT_MASS: 182.13068 CH$SMILES: CCCC(C(=O)1)C(=O)CC(C)(C)C1 CH$IUPAC: InChI=1S/C11H18O2/c1-4-5-8-9(12)6-11(2,3)7-10(8)13/h8H,4-7H2,1-3H3
AC$INSTRUMENT: HITACHI RMU-7 AC$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$SPLASH: splash10-001i-9300000000-86136bc8b8b846045371 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 41 18 180 42 30 300 43 17 170 55 69 690 56 19 190 69 19 190 83 99.99 999 84 57 570 97 19 190 98 19 190 111 26 260 112 11 110 125 17 170 126 9 90 140 17 170 153 17 170 154 13 130 167 17 170 182 23 230 //