ACCESSION: MSBNK-RIKEN-PR010161
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$CHROMATOGRAPHY: RETENTION_INDEX 1816.8
AC$CHROMATOGRAPHY: RETENTION_TIME 479.02 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$SPLASH: splash10-00di-9800000000-6a5f2500f08c12371f1f
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  60 20 20
  61 26 26
  62 2 2
  63 2 2
  66 4 4
  67 1 1
  69 10 10
  70 16 16
  71 9 9
  72 49 49
  73 999 999
  74 99 99
  75 139 139
  76 13 13
  77 26 26
  78 4 4
  79 22 22
  80 1 1
  83 2 2
  84 7 7
  85 7 7
  86 256 256
  87 32 32
  88 21 21
  89 4 4
  90 1 1
  92 1 1
  93 1 1
  97 4 4
  98 4 4
  99 6 6
  100 122 122
  101 30 30
  102 56 56
  103 14 14
  104 4 4
  105 2 2
  113 5 5
  114 10 10
  115 9 9
  116 33 33
  117 35 35
  118 7 7
  119 7 7
  120 1 1
  126 1 1
  127 2 2
  128 3 3
  129 19 19
  130 37 37
  131 21 21
  132 10 10
  133 28 28
  134 4 4
  135 3 3
  141 12 12
  142 5 5
  143 5 5
  144 10 10
  145 3 3
  146 10 10
  147 103 103
  148 18 18
  149 14 14
  150 2 2
  151 1 1
  153 1 1
  156 1 1
  157 1 1
  158 10 10
  159 4 4
  160 17 17
  161 4 4
  162 3 3
  169 3 3
  171 2 2
  172 21 21
  173 6 6
  174 645 645
  175 120 120
  176 112 112
  177 18 18
  178 5 5
  179 1 1
  187 11 11
  188 5 5
  189 3 3
  190 2 2
  191 1 1
  199 1 1
  201 4 4
  202 2 2
  203 1 1
  204 2 2
  213 1 1
  214 4 4
  215 14 14
  216 5 5
  217 2 2
  218 1 1
  221 1 1
  232 1 1
  243 16 16
  244 5 5
  245 3 3
  248 1 1
  317 1 1
  332 3 3
  333 40 40
  334 12 12
  335 6 6
  336 1 1
//