ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007618
RECORD_TITLE: 3-ISOBUTYL-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$NAME: 3-ISOBUTYL-2,5-PIPERAZINEDIONE
CH$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 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01q9-9700000000-86d9a634f429f1bfe2f0
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  30 63.9 639
  31 1.2 12
  41 1.2 12
  42 0.12 1
  43 4.9 49
  44 3.6 36
  55 1 10
  56 1.7 17
  57 9.7 97
  58 1.6 16
  60 1 10
  68 0.1 1
  69 1 10
  70 3.8 38
  71 1 10
  72 0.1 1
  84 52.3 523
  85 19.8 198
  86 7 70
  96 0.13 1
  98 2.1 21
  99 34.5 345
  100 3.1 31
  112 0.25 3
  113 12.1 121
  114 99.99 999
  115 22.2 222
  116 0.27 3
  127 35.8 358
  128 4.4 44
  142 1 10
  143 0.15 2
  155 2.3 23
  169 1 10
  170 0.9 9
  171 1.3 13
//
