MassBank Record: KZ000074



 Succinic 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: KZ000074
RECORD_TITLE: Succinic 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_01673_P000103

CH$NAME: Succinic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H6O4 CH$EXACT_MASS: 118.02661 CH$SMILES: OC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) CH$LINK: CAS 110-15-6 CH$LINK: KEGG C00042 CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602
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 1410.0 AC$CHROMATOGRAPHY: RETENTION_TIME 642.862 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-0920000000-f286e6204a4163b823ba PK$NUM_PEAK: 82 PK$PEAK: m/z int. rel.int. 82 9 9 83 7 7 84 9 9 85 25 25 86 36 36 87 16 16 88 9 9 89 16 16 90 2 2 91 1 1 92 1 1 93 2 2 97 1 1 99 9 9 100 2 2 101 12 12 102 3 3 103 8 8 104 2 2 105 4 4 106 1 1 111 1 1 113 17 17 114 4 4 115 18 18 116 33 33 117 21 21 118 4 4 119 4 4 120 1 1 121 1 1 128 7 7 129 130 130 130 22 22 131 28 28 132 5 5 133 36 36 134 6 6 135 4 4 136 1 1 143 1 1 147 999 999 148 143 143 149 118 118 150 16 16 151 4 4 156 3 3 157 8 8 158 1 1 159 1 1 162 1 1 163 4 4 172 153 153 173 87 87 174 20 20 175 10 10 176 1 1 177 1 1 187 1 1 189 1 1 190 3 3 191 1 1 192 1 1 203 5 5 204 2 2 205 1 1 206 1 1 215 1 1 217 4 4 218 16 16 219 6 6 220 3 3 221 1 1 246 1 1 247 343 343 248 88 88 249 43 43 250 6 6 251 1 1 262 10 10 263 2 2 264 1 1 //

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