MassBank Record: JP000101



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

ACCESSION: JP000101
RECORD_TITLE: 3-ISOBUTYL-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$NAME: 3-ISOBUTYL-2,5-PIPERADINEDIONE CH$NAME: CYCLOGLYCYL-LEUCINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14N2O2 CH$EXACT_MASS: 170.10553 CH$SMILES: CC(C)CC(N1)C(=O)NCC(=O)1 CH$IUPAC: InChI=1S/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)
AC$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: splash10-01si-9200000000-ba9e68b58d73914a6ae0 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 15 5.5 55 27 15.9 159 28 33.7 337 29 14.1 141 30 99.99 999 31 1.3 13 40 9.7 97 41 1.9 19 42 19.3 193 43 9 90 44 23 230 45 8.6 86 53 1.7 17 54 2 20 55 6.7 67 56 15.4 154 57 9.7 97 58 2.1 21 59 1 10 67 1 10 68 1.9 19 69 1.8 18 70 5.3 53 84 15.9 159 85 17.9 179 86 5.2 52 98 1.3 13 99 7.4 74 113 6.2 62 114 78 780 115 4.4 44 127 8.5 85 169 0.3 3 170 0.3 3 171 1.1 11 //