MassBank Record: KZ000212



 Gly-Gly; GC-EI-TOF; MS; 4 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000212
RECORD_TITLE: Gly-Gly; GC-EI-TOF; MS; 4 TMS; BP:174
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01512_P000160

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$LINK: KEGG C02037 CH$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: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1857.7 AC$CHROMATOGRAPHY: RETENTION_TIME 865.413 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-1900000000-4cc7d622d8302ea78998 PK$NUM_PEAK: 130 PK$PEAK: m/z int. rel.int. 82 1 1 83 1 1 84 36 36 85 10 10 86 250 250 87 26 26 88 15 15 89 4 4 90 1 1 92 1 1 93 4 4 95 2 2 97 1 1 98 19 19 99 7 7 100 146 146 101 38 38 102 40 40 103 14 14 104 3 3 105 3 3 111 1 1 112 1 1 113 7 7 114 7 7 115 11 11 116 29 29 117 33 33 118 5 5 119 7 7 120 1 1 126 1 1 127 2 2 128 3 3 129 12 12 130 39 39 131 36 36 132 12 12 133 42 42 134 5 5 135 3 3 140 1 1 141 6 6 142 16 16 143 6 6 144 11 11 145 3 3 146 17 17 147 155 155 148 23 23 149 12 12 150 1 1 151 1 1 153 1 1 156 1 1 157 1 1 158 10 10 159 4 4 160 13 13 161 3 3 162 1 1 169 1 1 170 1 1 171 2 2 172 38 38 173 8 8 174 999 999 175 138 138 176 49 49 177 5 5 178 1 1 185 1 1 186 1 1 187 8 8 188 7 7 189 3 3 190 2 2 191 1 1 199 1 1 200 2 2 201 2 2 202 2 2 203 1 1 204 8 8 205 2 2 213 3 3 214 4 4 215 9 9 216 6 6 217 1 1 218 8 8 219 1 1 221 3 3 229 4 4 230 2 2 232 1 1 234 3 3 241 7 7 242 1 1 243 6 6 244 2 2 245 1 1 246 2 2 247 1 1 248 43 43 249 9 9 250 3 3 258 3 3 259 4 4 260 1 1 261 1 1 273 1 1 287 1 1 288 1 1 289 1 1 306 4 4 315 1 1 316 1 1 317 3 3 318 1 1 332 1 1 333 3 3 334 1 1 404 10 10 405 34 34 406 9 9 407 3 3 419 1 1 420 3 3 421 1 1 //

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