ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006613
RECORD_TITLE: 3-ISOBUTYL-2,5-PIPERAZINEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-ISOBUTYL-2,5-PIPERAZINEDIONE
CH$NAME: CYCLOGLYCYLLEUCINE
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$IUPAC: InChI=1S/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)
CH$LINK: INCHIKEY VQFHWKRNHGHZTK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60973726
AC$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: splash10-03e9-7900000000-817bd8561cf8f8d526cc
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  30 32.4 324
  41 1.6 16
  42 1.5 15
  43 0.72 7
  44 3.8 38
  55 2.5 25
  56 13.2 132
  57 0.51 5
  61 1.6 16
  70 3.5 35
  84 18.8 188
  85 1.24 12
  86 3.9 39
  98 1.9 19
  99 12.3 123
  100 0.14 1
  113 5.6 56
  114 99.99 999
  115 5.5 55
  127 0.98 10
  128 1.5 15
  143 1.6 16
  170 0.5 5
//
