ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007410
RECORD_TITLE: N-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$NAME: N-GLYCYLGLYCINE
CH$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: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90862194

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9000000000-e81c9e2483d01587c1bd
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  17 4.15 42
  18 17.85 179
  26 1.01 10
  27 5.61 56
  28 24.76 248
  29 9.35 94
  30 99.99 999
  31 5.74 57
  32 3.58 36
  36 1.06 11
  40 1.83 18
  41 3.19 32
  42 6.76 68
  43 4.68 47
  44 17.64 176
  45 2.61 26
  55 1.77 18
  56 4.84 48
  57 2.27 23
  58 1.43 14
  59 1.75 18
  60 1.34 13
  69 1.34 13
  71 4.06 41
  74 2.05 21
  85 1.17 12
  86 1.19 12
  87 1.16 12
  88 1.01 10
  89 2.57 26
  97 1.17 12
  104 3.3 33
  114 9.54 95
  132 5.23 52
//