MassBank Record: KZ000258



 Oxalic 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: KZ000258
RECORD_TITLE: Oxalic 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_01635_P000053

CH$NAME: Oxalic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C2H2O4 CH$EXACT_MASS: 89.99531 CH$SMILES: OC(=O)C(O)=O CH$IUPAC: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) CH$LINK: CAS 144-62-7 CH$LINK: KEGG C00209 CH$LINK: INCHIKEY MUBZPKHOEPUJKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025816
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 1250.4 AC$CHROMATOGRAPHY: RETENTION_TIME 528.013 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-0900000000-eaa92cf80964dd7d345a PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 84 3 3 85 2 2 86 2 2 87 23 23 88 4 4 89 10 10 90 1 1 91 2 2 92 2 2 93 19 19 94 1 1 95 6 6 99 1 1 100 1 1 101 12 12 102 35 35 103 40 40 104 6 6 105 15 15 106 1 1 107 1 1 108 1 1 113 4 4 115 22 22 116 7 7 117 31 31 118 4 4 119 5 5 131 56 56 132 9 9 133 64 64 134 8 8 135 4 4 146 1 1 147 999 999 148 175 175 149 89 89 150 9 9 151 2 2 175 28 28 176 5 5 177 2 2 190 48 48 191 9 9 192 4 4 219 26 26 220 4 4 221 2 2 //

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