ACCESSION: MSBNK-Osaka_Univ-OUF00259
RECORD_TITLE: Gly-Gly; GC-EI-TOF; MS; n TMS; RT:699.131 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$CHROMATOGRAPHY: RETENTION_INDEX 1819.489
AC$CHROMATOGRAPHY: RETENTION_TIME 699.131 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00di-1900000000-588aa5f9b282e25fb005
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
  85 11 11
  86 320 320
  87 43 43
  88 28 28
  89 5 5
  91 1 1
  93 1 1
  97 6 6
  98 4 4
  99 8 8
  100 171 171
  101 44 44
  102 76 76
  103 20 20
  104 5 5
  105 1 1
  111 1 1
  113 6 6
  114 12 12
  115 14 14
  116 49 49
  117 51 51
  118 10 10
  119 12 12
  126 1 1
  127 3 3
  128 3 3
  129 32 32
  130 57 57
  131 36 36
  132 17 17
  133 49 49
  134 9 9
  135 4 4
  141 20 20
  142 8 8
  143 9 9
  144 16 16
  145 5 5
  146 17 17
  147 175 175
  148 40 40
  149 28 28
  150 4 4
  151 1 1
  153 1 1
  157 2 2
  158 14 14
  159 8 8
  160 31 31
  161 7 7
  162 4 4
  163 1 1
  169 5 5
  170 3 3
  171 2 2
  172 38 38
  173 11 11
  174 999 999
  175 202 202
  176 181 181
  177 35 35
  178 10 10
  179 1 1
  187 21 21
  188 10 10
  189 3 3
  190 2 2
  191 1 1
  199 1 1
  200 2 2
  201 6 6
  202 3 3
  203 2 2
  204 4 4
  213 2 2
  214 8 8
  215 28 28
  216 9 9
  217 5 5
  218 3 3
  232 1 1
  243 30 30
  244 11 11
  245 6 6
  246 2 2
  247 1 1
  258 1 1
  259 1 1
  318 1 1
  332 2 2
  333 69 69
  334 56 56
  335 19 19
  336 4 4
  438 1 1
//