ACCESSION: MSBNK-RIKEN-PR010160
RECORD_TITLE: Gly-Gly; GC-EI-TOF; MS; 4 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Glycylglycine
CH$NAME: Gly-Gly
CH$COMPOUND_CLASS: Natural Product
CH$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$LINK: CHEBI 17201
CH$LINK: KEGG C02037
CH$LINK: NIKKAJI J2.659J
CH$LINK: PUBCHEM 5129
CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90862194

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1799.4
AC$CHROMATOGRAPHY: RETENTION_TIME 475.357 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C16H40N2O3Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 420.2116
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9700000000-de41939f179394ca4fd9
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  60 14 14
  61 13 13
  62 1 1
  63 2 2
  66 4 4
  67 1 1
  69 1 1
  70 17 17
  71 7 7
  72 41 41
  73 999 999
  74 93 93
  75 82 82
  76 7 7
  77 28 28
  78 3 3
  79 12 12
  83 1 1
  84 7 7
  85 5 5
  86 182 182
  87 21 21
  88 12 12
  89 3 3
  92 1 1
  98 6 6
  99 3 3
  100 95 95
  101 23 23
  102 22 22
  103 10 10
  104 2 2
  105 2 2
  113 4 4
  114 4 4
  115 7 7
  116 25 25
  117 28 28
  118 5 5
  119 6 6
  127 1 1
  128 1 1
  129 8 8
  130 28 28
  131 28 28
  132 9 9
  133 37 37
  134 5 5
  135 3 3
  140 1 1
  141 3 3
  142 9 9
  143 3 3
  144 8 8
  145 2 2
  146 6 6
  147 106 106
  148 18 18
  149 10 10
  150 1 1
  158 9 9
  159 3 3
  160 6 6
  161 2 2
  162 1 1
  172 22 22
  173 5 5
  174 597 597
  175 111 111
  176 55 55
  177 7 7
  178 1 1
  187 4 4
  188 5 5
  189 2 2
  190 2 2
  191 1 1
  199 1 1
  200 1 1
  201 2 2
  202 1 1
  203 1 1
  204 6 6
  205 2 2
  213 2 2
  214 3 3
  215 3 3
  216 4 4
  217 1 1
  218 7 7
  219 1 1
  221 2 2
  229 1 1
  230 1 1
  234 2 2
  241 1 1
  243 1 1
  244 1 1
  246 3 3
  248 48 48
  249 12 12
  250 6 6
  251 1 1
  259 3 3
  273 1 1
  287 1 1
  288 1 1
  289 1 1
  306 3 3
  317 3 3
  318 1 1
  404 5 5
  405 36 36
  406 15 15
  407 8 8
  408 2 2
  420 3 3
  421 1 1
//