ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000098
RECORD_TITLE: 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$NAME: 2,5-PIPERAZINEDIONE
CH$NAME: CYCLOGLYCYL-GLYCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6N2O2
CH$EXACT_MASS: 114.04293
CH$SMILES: O=C(C1)NCC(=O)N1
CH$IUPAC: InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
CH$LINK: INCHIKEY BXRNXXXXHLBUKK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059342
AC$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: splash10-003u-9100000000-50778fa546ebd2babb9a
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  14 4.6 46
  15 4.1 41
  27 8.5 85
  28 58.4 584
  29 41.1 411
  30 99.99 999
  31 1.5 15
  41 1.6 16
  42 28 280
  43 22.8 228
  44 1.6 16
  56 4.4 44
  58 3.2 32
  59 1.5 15
  71 32.7 327
  72 1.6 16
  85 4.8 48
  114 48.5 485
  115 3.6 36
//
