ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011346
RECORD_TITLE: CYCLO-GLYCYLGLYCINE (3,3,6,6-D4); 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$NAME: CYCLO-GLYCYLGLYCINE (3,3,6,6-D4)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆N₂O₂
CH$EXACT_MASS: 114.04293
CH$SMILES: [2H]C([2H])(N1)C(=O)NC([2H])([2H])C(=O)1
CH$IUPAC: InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)/i1D2,2D2
CH$LINK: INCHIKEY BXRNXXXXHLBUKK-LNLMKGTHSA-N

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$SPLASH: splash10-00lr-9200000000-75e9ebb58c77f551b84e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  18 12.94 129
  27 3.29 33
  28 17.71 177
  29 63.34 633
  30 27.81 278
  31 54.6 546
  32 77.98 780
  33 55.05 551
  38 1.02 10
  39 1.02 10
  40 1.02 10
  41 1.59 16
  42 3.18 32
  43 10.78 108
  44 45.29 453
  45 10.78 108
  46 10.33 103
  47 30.31 303
  56 1.7 17
  57 2.61 26
  58 9.88 99
  59 2.61 26
  60 4.99 50
  61 1.14 11
  62 1.7 17
  72 0.91 9
  73 4.31 43
  74 10.33 103
  75 31.56 316
  76 1.36 14
  88 1.02 10
  89 1.48 15
  90 4.09 41
  116 2.72 27
  117 38.14 381
  118 99.99 999
  119 6.58 66
//