ACCESSION: MSBNK-Osaka_Univ-OUF00258
RECORD_TITLE: Gly-Gly; GC-EI-TOF; MS; n TMS; RT:691.692 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: Glycyl-Glycine
CH$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$LINK: CHEBI 17201 356445
CH$LINK: CHEMSPIDER 10690
CH$LINK: KEGG C02037
CH$LINK: PUBCHEM CID:11163
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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1801.565
AC$CHROMATOGRAPHY: RETENTION_TIME 691.692 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-00di-1910000000-4b3d1fa3d216c551cb12
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  85 8 8
  86 234 234
  87 29 29
  88 17 17
  89 5 5
  97 1 1
  98 8 8
  99 5 5
  100 133 133
  101 32 32
  102 35 35
  103 15 15
  104 3 3
  105 3 3
  112 1 1
  113 5 5
  114 7 7
  115 11 11
  116 38 38
  117 41 41
  118 8 8
  119 10 10
  120 1 1
  127 3 3
  128 3 3
  129 14 14
  130 46 46
  131 46 46
  132 17 17
  133 63 63
  134 12 12
  135 6 6
  140 2 2
  141 5 5
  142 16 16
  143 6 6
  144 14 14
  145 4 4
  146 12 12
  147 189 189
  148 32 32
  149 20 20
  150 2 2
  151 1 1
  156 1 1
  157 1 1
  158 16 16
  159 8 8
  160 13 13
  161 4 4
  162 1 1
  169 1 1
  171 1 1
  172 39 39
  173 11 11
  174 999 999
  175 193 193
  176 91 91
  177 13 13
  178 2 2
  185 1 1
  186 1 1
  187 8 8
  188 11 11
  189 5 5
  190 5 5
  191 1 1
  199 2 2
  200 2 2
  201 3 3
  202 3 3
  203 2 2
  204 12 12
  205 3 3
  206 1 1
  213 3 3
  214 6 6
  215 6 6
  216 8 8
  217 2 2
  218 12 12
  219 4 4
  220 1 1
  221 4 4
  222 1 1
  229 2 2
  230 2 2
  231 1 1
  232 1 1
  234 4 4
  235 1 1
  241 1 1
  243 2 2
  244 2 2
  245 1 1
  246 5 5
  247 2 2
  248 89 89
  249 36 36
  250 16 16
  251 4 4
  258 1 1
  259 7 7
  260 2 2
  261 2 2
  262 2 2
  273 1 1
  274 1 1
  287 1 1
  288 3 3
  289 3 3
  290 1 1
  306 5 5
  307 3 3
  308 1 1
  316 1 1
  317 6 6
  318 4 4
  319 1 1
  333 2 2
  334 1 1
  404 7 7
  405 62 62
  406 51 51
  407 24 24
  408 9 9
  409 2 2
  420 5 5
  421 4 4
  422 2 2
//