MassBank Record: JP000103



 3-METHYL-6-ISOPROPYL-2,5-PIPERADINEDIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000103
RECORD_TITLE: 3-METHYL-6-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$NAME: 3-METHYL-6-ISOPROPYL-2,5-PIPERADINEDIONE CH$NAME: CYCLOALANYL-VALINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14N2O2 CH$EXACT_MASS: 170.10553 CH$SMILES: CC(C)C(N1)C(=O)NC(C)C(=O)1 CH$IUPAC: InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)
AC$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: splash10-004l-9300000000-da049db4a8457186b053 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 15 10.1 101 26 3 30 27 20.5 205 28 48.9 489 29 11.6 116 30 7.1 71 38 1 10 39 11.2 112 40 3 30 41 18 180 42 18 180 43 14.9 149 44 99.99 999 45 3.5 35 53 1.4 14 54 3.7 37 55 13.2 132 56 14 140 57 7.8 78 58 1.8 18 68 1.6 16 69 9.3 93 70 4.8 48 71 7.7 77 72 32.4 324 73 2.9 29 83 2.3 23 84 11 110 85 8.7 87 98 1.1 11 99 22.8 228 100 2.9 29 111 1.6 16 112 2.3 23 113 26.3 263 114 2.1 21 127 12.5 125 128 94.4 944 129 6.9 69 155 1.4 14 170 1 10 171 1.4 14 //