MassBank Record: KZ000080



 2-Oxoglutaric acid; GC-EI-TOF; MS; 2 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000080
RECORD_TITLE: 2-Oxoglutaric acid; GC-EI-TOF; MS; 2 TMS; BP:147
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_01698_P000053

CH$NAME: alpha-Ketoglutaric acid CH$NAME: 2-Oxoglutaric acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H6O5 CH$EXACT_MASS: 146.02152 CH$SMILES: OC(=O)CCC(=O)C(O)=O CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) CH$LINK: CAS 328-50-7 CH$LINK: KEGG C00026 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1729.5 AC$CHROMATOGRAPHY: RETENTION_TIME 805.741 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000b-3910000000-4097b7eb52c2910a4277 PK$NUM_PEAK: 150 PK$PEAK: m/z int. rel.int. 82 131 131 83 17 17 84 204 204 85 42 42 86 46 46 87 18 18 88 15 15 89 795 795 90 74 74 91 59 59 92 10 10 93 20 20 94 3 3 95 8 8 96 8 8 97 7 7 98 26 26 99 25 25 100 37 37 101 24 24 102 25 25 103 35 35 104 8 8 105 21 21 106 2 2 107 2 2 108 1 1 109 7 7 110 15 15 111 25 25 112 264 264 113 31 31 114 8 8 115 47 47 116 14 14 117 36 36 118 6 6 119 14 14 120 2 2 121 2 2 122 1 1 123 1 1 124 3 3 125 16 16 126 139 139 127 34 34 128 34 34 129 51 51 130 15 15 131 45 45 132 14 14 133 115 115 134 17 17 135 13 13 136 1 1 137 1 1 138 7 7 139 5 5 140 7 7 141 3 3 142 14 14 143 11 11 144 7 7 145 13 13 146 4 4 147 999 999 148 168 168 149 103 103 150 12 12 151 4 4 152 3 3 153 6 6 154 82 82 155 20 20 156 482 482 157 64 64 158 38 38 159 13 13 160 8 8 161 3 3 162 1 1 163 17 17 164 3 3 165 2 2 166 1 1 168 1 1 169 1 1 170 162 162 171 31 31 172 50 50 173 25 25 174 14 14 175 4 4 176 2 2 181 1 1 182 17 17 183 16 16 184 16 16 185 4 4 186 160 160 187 23 23 188 9 9 189 2 2 190 4 4 191 1 1 197 1 1 198 508 508 199 82 82 200 37 37 201 42 42 202 119 119 203 19 19 204 6 6 205 1 1 212 1 1 213 1 1 214 6 6 215 1 1 216 4 4 217 2 2 218 1 1 227 1 1 228 4 4 229 99 99 230 19 19 231 6 6 232 1 1 242 1 1 243 3 3 244 46 46 245 13 13 246 6 6 247 1 1 260 2 2 261 1 1 272 8 8 273 6 6 274 3 3 287 1 1 288 98 98 289 29 29 290 11 11 291 2 2 303 2 2 304 76 76 305 17 17 306 7 7 307 1 1 319 5 5 320 1 1 //

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