MassBank Record: JP000100



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

ACCESSION: JP000100
RECORD_TITLE: 3-ISOPROPYL-2,5-PIPERADINEDIONE; 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$NAME: 3-ISOPROPYL-2,5-PIPERADINEDIONE CH$NAME: CYCLOGLYCYL-VALINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12N2O2 CH$EXACT_MASS: 156.08988 CH$SMILES: CC(C)C(N1)C(=O)NCC(=O)1 CH$IUPAC: InChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)
AC$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: splash10-03gi-9300000000-5c047d856bfb99f819dd PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 15 3.7 37 26 1.2 12 27 14.9 149 28 49 490 29 16.9 169 30 79.9 799 31 2.7 27 38 1 10 39 11.9 119 40 2.2 22 41 17.2 172 42 9.3 93 43 14.4 144 44 1.1 11 52 1 10 53 1.4 14 54 3 30 55 8.3 83 56 11.3 113 57 28 280 58 3.9 39 59 1.8 18 69 5.7 57 70 14 140 71 2.1 21 72 7.7 77 73 1.4 14 83 1.9 19 84 1.6 16 85 21.1 211 86 9.4 94 91 3.5 35 98 1.2 12 113 11 110 114 99.99 999 115 5.8 58 141 1.4 14 156 1 10 //