ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000244
RECORD_TITLE: 3-ISO-BUTYL-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$NAME: 3-ISO-BUTYL-6-METHYL-2,5-PIPERAZINEDIONE
CH$NAME: CYCLO-ALANYL-LEUCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆N₂O₂
CH$EXACT_MASS: 184.12118
CH$SMILES: CC(C)CC(N1)C(=O)NC(C)C(=O)1
CH$IUPAC: InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)
CH$LINK: INCHIKEY DBJPZCJQDRPOME-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$SPLASH: splash10-002f-9300000000-152307e7d917778b95da
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 7.7 77
  26 1.3 13
  27 19.8 198
  28 2.89 29
  29 10.3 103
  30 17.5 175
  39 8.5 85
  40 0.25 3
  41 23.5 235
  42 19.6 196
  43 31.2 312
  44 99.99 999
  45 3 30
  51 1.1 11
  54 2.2 22
  55 1.13 11
  56 6 60
  57 7 70
  58 1.3 13
  67 0.32 3
  68 2.4 24
  69 6 60
  70 23.5 235
  71 0.92 9
  72 2 20
  81 2.6 26
  82 1.3 13
  83 0.32 3
  84 1.9 19
  85 3.5 35
  86 26.5 265
  87 0.15 2
  95 2.5 25
  96 2.2 22
  97 2.8 28
  99 2.14 21
  100 2.2 22
  109 2.1 21
  111 2.3 23
  113 1.3 13
  123 1.7 17
  127 5 50
  128 96 960
  129 0.72 7
  141 7.3 73
  149 1.4 14
  169 1.5 15
//