MassBank Record: KZ000031



 Glutaric 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: KZ000031
RECORD_TITLE: Glutaric 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_01504_P000116

CH$NAME: Glutaric acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H8O4 CH$EXACT_MASS: 132.04226 CH$SMILES: OC(=O)CCCC(O)=O CH$IUPAC: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) CH$LINK: CAS 110-94-1 CH$LINK: KEGG C00489 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654
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 1499.3 AC$CHROMATOGRAPHY: RETENTION_TIME 694.463 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0f6t-2940000000-9f099473c4a6eb94d4be PK$NUM_PEAK: 158 PK$PEAK: m/z int. rel.int. 83 5 5 85 157 157 86 21 21 87 25 25 88 81 81 89 57 57 90 6 6 91 5 5 94 1 1 95 11 11 96 8 8 97 823 823 98 43 43 99 64 64 100 7 7 101 55 55 102 5 5 103 5 5 104 1 1 105 2 2 106 1 1 109 1 1 110 1 1 111 5 5 112 1 1 113 36 36 114 7 7 115 65 65 116 494 494 117 198 198 118 23 23 119 12 12 120 1 1 121 1 1 122 1 1 123 76 76 124 6 6 125 2 2 126 1 1 127 50 50 128 13 13 129 489 489 130 260 260 131 45 45 132 12 12 133 42 42 134 3 3 135 3 3 138 1 1 141 2 2 142 9 9 143 49 49 144 4 4 145 27 27 146 2 2 147 999 999 148 12 12 157 1 1 158 395 395 159 133 133 160 25 25 161 6 6 162 30 30 163 18 18 164 3 3 165 3 3 167 1 1 168 1 1 169 3 3 170 1 1 171 38 38 172 5 5 173 6 6 174 3 3 175 3 3 176 3 3 177 2 2 178 3 3 179 1 1 180 1 1 181 1 1 182 1 1 183 1 1 184 1 1 185 4 4 186 334 334 187 196 196 188 33 33 189 102 102 190 26 26 191 18 18 192 4 4 193 2 2 194 1 1 195 3 3 196 3 3 197 3 3 198 2 2 199 2 2 200 2 2 201 24 24 202 6 6 203 382 382 204 546 546 205 110 110 206 35 35 207 5 5 208 3 3 209 1 1 210 2 2 211 1 1 212 2 2 213 1 1 214 2 2 215 2 2 216 2 2 217 28 28 218 7 7 219 14 14 220 4 4 221 6 6 222 2 2 223 2 2 224 2 2 225 1 1 226 2 2 227 1 1 228 1 1 230 2 2 231 2 2 232 6 6 233 259 259 234 115 115 235 49 49 236 8 8 237 2 2 238 1 1 239 1 1 240 1 1 242 1 1 243 2 2 244 3 3 245 5 5 246 5 5 247 3 3 248 3 3 249 2 2 250 3 3 251 3 3 252 3 3 253 2 2 254 2 2 255 1 1 260 8 8 261 597 597 262 88 88 263 24 24 276 3 3 //

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