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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011919

GLYCINE ANHYDRIDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011919
RECORD_TITLE: GLYCINE ANHYDRIDE; 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$NAME: GLYCINE ANHYDRIDE
CH$NAME: 2,5-PIPERAZINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6N2O2
CH$EXACT_MASS: 114.04293
CH$SMILES: O=C(C1)NCC(=O)N1
CH$IUPAC: InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
CH$LINK: CAS 106-57-0
CH$LINK: NIKKAJI J231.224G
CH$LINK: INCHIKEY BXRNXXXXHLBUKK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059342

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03k9-9500000000-d86c0a0166537ecbf0f6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  28 2.13 21
  29 5.8 58
  30 38.76 388
  42 8.42 84
  43 33.22 332
  44 1.26 13
  58 3.73 37
  59 2.37 24
  71 58.46 585
  72 2.46 25
  85 1.39 14
  86 10.49 105
  114 99.99 999
  115 8.22 82
//

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