MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000102

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000102
RECORD_TITLE: 3-METHYL-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

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CH$NAME: 3-METHYL-2,5-PIPERADINEDIONE
CH$NAME: CYCLOGLYCYL-ALANINE
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 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-053l-9000000000-a112f748d81443ef43d6
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  28 13.9 139
  29 7.5 75
  30 77.7 777
  31 1.4 14
  42 9 90
  43 11 110
  44 45.3 453
  55 1.3 13
  56 10.9 109
  57 48.5 485
  58 2.9 29
  70 1.3 13
  84 1.3 13
  85 99.99 999
  86 5.6 56
  99 1.3 13
  100 3.3 33
  128 28 280
  129 2.6 26
//