ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005527
RECORD_TITLE: 3-ISOPROPYL-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$NAME: 3-ISOPROPYL-2,5-PIPERAZINEDIONE
CH$NAME: CYCLOGLYCYLVALINE
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$IUPAC: InChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)
CH$LINK: INCHIKEY IULFBTHVPRNQCG-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-8900000000-219f28e5777a210d4506
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  28 2.6 26
  29 1.3 13
  30 30.4 304
  31 0.11 1
  42 2.4 24
  43 3.2 32
  44 5 50
  55 0.25 3
  56 4.1 41
  57 15.6 156
  58 2 20
  59 0.11 1
  69 2.7 27
  70 10.5 105
  71 1.8 18
  72 0.39 4
  83 1.1 11
  85 14.6 146
  86 6.5 65
  113 1.09 11
  114 99.99 999
  115 5.2 52
  141 1.2 12
  156 0.7 7
//
