ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006614
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: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU 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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-5900000000-6cf02bcf0dcb851e4d2d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  28 2.1 21
  30 1.7 17
  43 4.1 41
  44 5.31 53
  45 1.8 18
  55 3.2 32
  56 4.6 46
  57 0.25 3
  58 1 10
  69 3.5 35
  70 1.2 12
  71 0.44 4
  72 24.7 247
  73 2.4 24
  83 1.4 14
  84 0.79 8
  85 6 60
  99 21 210
  100 3.1 31
  111 0.1 1
  112 1.4 14
  113 19.1 191
  114 1.3 13
  127 1.4 14
  128 99.99 999
  129 7.3 73
  155 1.3 13
  170 0.8 8
//
