MassBank Record: JP000244



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

ACCESSION: JP000244
RECORD_TITLE: 3-ISO-BUTYL-6-METHYL-2,5-PIPERAZINEDIONE; 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$NAME: 3-ISO-BUTYL-6-METHYL-2,5-PIPERAZINEDIONE CH$NAME: CYCLO-ALANYL-LEUCINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16N2O2 CH$EXACT_MASS: 184.12118 CH$SMILES: CC(C)CC(N1)C(=O)NC(C)C(=O)1 CH$IUPAC: InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)
AC$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: splash10-002f-9300000000-152307e7d917778b95da PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 15 7.7 77 26 1.3 13 27 19.8 198 28 2.89 29 29 10.3 103 30 17.5 175 39 8.5 85 40 0.25 3 41 23.5 235 42 19.6 196 43 31.2 312 44 99.99 999 45 3 30 51 1.1 11 54 2.2 22 55 1.13 11 56 6 60 57 7 70 58 1.3 13 67 0.32 3 68 2.4 24 69 6 60 70 23.5 235 71 0.92 9 72 2 20 81 2.6 26 82 1.3 13 83 0.32 3 84 1.9 19 85 3.5 35 86 26.5 265 87 0.15 2 95 2.5 25 96 2.2 22 97 2.8 28 99 2.14 21 100 2.2 22 109 2.1 21 111 2.3 23 113 1.3 13 123 1.7 17 127 5 50 128 96 960 129 0.72 7 141 7.3 73 149 1.4 14 169 1.5 15 //