MassBank Record: KZ000138



 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: KZ000138
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_05033_P000045

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 696.212 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-1920000000-4ade63738a1c00460a63 PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 83 3 3 84 4 4 85 72 72 86 10 10 87 12 12 88 30 30 89 20 20 90 3 3 91 3 3 92 3 3 93 24 24 94 2 2 95 14 14 96 4 4 97 216 216 98 17 17 99 29 29 100 5 5 101 51 51 102 7 7 103 12 12 104 2 2 105 5 5 108 1 1 109 1 1 111 4 4 113 13 13 114 2 2 115 27 27 116 148 148 117 69 69 118 11 11 119 7 7 120 1 1 121 1 1 123 17 17 124 2 2 125 1 1 127 14 14 128 4 4 129 183 183 130 86 86 131 37 37 132 10 10 133 52 52 134 7 7 135 5 5 142 3 3 143 18 18 144 3 3 145 21 21 146 4 4 147 999 999 148 164 164 149 126 126 150 15 15 151 6 6 152 1 1 157 1 1 158 245 245 159 72 72 160 17 17 161 4 4 162 10 10 163 5 5 164 1 1 170 1 1 171 9 9 172 1 1 173 2 2 179 1 1 185 1 1 186 87 87 187 44 44 188 9 9 189 25 25 190 6 6 191 4 4 192 1 1 201 5 5 202 1 1 203 78 78 204 103 103 205 24 24 206 8 8 207 1 1 217 7 7 218 2 2 219 4 4 220 1 1 221 1 1 232 1 1 233 74 74 234 28 28 235 11 11 236 2 2 245 1 1 246 1 1 260 1 1 261 229 229 262 48 48 263 22 22 264 3 3 276 1 1 //

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