ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011910
RECORD_TITLE: GLYCYLGLYCINE; 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$NAME: GLYCYLGLYCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈N₂O₃
CH$EXACT_MASS: 132.05349
CH$SMILES: NCC(=O)NCC(O)=O
CH$IUPAC: InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
CH$LINK: CAS 556-50-3
CH$LINK: NIKKAJI J2.659J
CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90862194

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-001i-9000000000-156d6e678bff48157df2
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  18 2.22 22
  27 1.29 13
  28 15.95 160
  29 5.24 52
  30 99.99 999
  31 4.16 42
  42 3.49 35
  43 2.49 25
  44 1.07 11
  45 2.89 29
  56 3.37 34
  59 1.22 12
  71 1.69 17
  74 1.26 13
  89 1.24 12
  104 3.43 34
  114 1.83 18
  132 1.67 17
//