MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007617

3-METHYL-2,5-PIPERAZINEDIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007617
RECORD_TITLE: 3-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

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CH$NAME: 3-METHYL-2,5-PIPERAZINEDIONE
CH$NAME: CYCLOGLYCYLALANINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈N₂O₂
CH$EXACT_MASS: 128.05858
CH$SMILES: CC(N1)C(=O)NCC(=O)1
CH$IUPAC: InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)
CH$LINK: INCHIKEY ICCHEGCKVBMSTF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90875603

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-000i-9100000000-235aec5f8d254471ac73
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  28 1.4 14
  29 1 10
  30 42.8 428
  31 0.16 2
  42 1.2 12
  43 4.6 46
  44 16.6 166
  56 0.41 4
  57 40.2 402
  58 2.4 24
  85 99.99 999
  86 0.49 5
  100 3.5 35
  128 27.8 278
  129 2.2 22
//