ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000100
RECORD_TITLE: 3-ISOPROPYL-2,5-PIPERADINEDIONE; 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$NAME: 3-ISOPROPYL-2,5-PIPERADINEDIONE
CH$NAME: CYCLOGLYCYL-VALINE
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03gi-9300000000-5c047d856bfb99f819dd
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 3.7 37
  26 1.2 12
  27 14.9 149
  28 49 490
  29 16.9 169
  30 79.9 799
  31 2.7 27
  38 1 10
  39 11.9 119
  40 2.2 22
  41 17.2 172
  42 9.3 93
  43 14.4 144
  44 1.1 11
  52 1 10
  53 1.4 14
  54 3 30
  55 8.3 83
  56 11.3 113
  57 28 280
  58 3.9 39
  59 1.8 18
  69 5.7 57
  70 14 140
  71 2.1 21
  72 7.7 77
  73 1.4 14
  83 1.9 19
  84 1.6 16
  85 21.1 211
  86 9.4 94
  91 3.5 35
  98 1.2 12
  113 11 110
  114 99.99 999
  115 5.8 58
  141 1.4 14
  156 1 10
//