ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007616
RECORD_TITLE: 3-ISOPROPYL-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$NAME: 3-ISOPROPYL-6-METHYL-2,5-PIPERAZINEDIONE
CH$NAME: CYCLOALANYLVALINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14N2O2
CH$EXACT_MASS: 170.10553
CH$SMILES: CC(C)C(N1)C(=O)NC(C)C(=O)1
CH$IUPAC: InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)
CH$LINK: INCHIKEY ORLDMMKUTCCBSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50934240
AC$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 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-4900000000-10a20345a1a709d3b590
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  43 1.2 12
  44 19.1 191
  45 1 10
  56 1 10
  57 1 10
  69 1 10
  71 2.4 24
  72 13.7 137
  83 1.1 11
  84 4.3 43
  85 1.9 19
  99 16 160
  100 2.52 25
  111 1.28 13
  112 1.47 15
  113 99.99 999
  114 1.33 13
  127 14.7 147
  155 1.01 10
  170 1.42 14
//
