MassBank Record: PR010022



 Oxalic acid; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010022
RECORD_TITLE: Oxalic acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 6153-56-6 CH$LINK: NIKKAJI J99.324G
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$CHROMATOGRAPHY: RETENTION_INDEX 1125.3 AC$CHROMATOGRAPHY: RETENTION_TIME 255.572 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C8H18O4Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 234.07436 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dj-9500000000-e5db327eab9e8a2f149e PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 60 4 4 61 9 9 62 1 1 63 11 11 64 1 1 65 10 10 66 80 80 67 2 2 69 3 3 70 9 9 71 15 15 72 63 63 73 999 999 74 46 46 75 68 68 76 5 5 77 134 134 78 19 19 79 38 38 80 1 1 84 9 9 86 24 24 87 11 11 88 2 2 89 1 1 92 4 4 93 44 44 94 1 1 95 11 11 98 1 1 99 2 2 100 15 15 101 4 4 102 17 17 103 16 16 105 1 1 107 1 1 108 2 2 110 1 1 114 3 3 115 9 9 116 3 3 117 11 11 118 2 2 119 3 3 126 1 1 127 3 3 128 1 1 129 1 1 130 1 1 131 38 38 132 4 4 133 32 32 134 4 4 135 5 5 144 1 1 145 1 1 146 6 6 147 712 712 148 50 50 158 2 2 161 1 1 172 2 2 173 1 1 174 5 5 175 10 10 176 4 4 190 23 23 191 5 5 196 1 1 197 1 1 217 1 1 218 32 32 219 16 16 233 2 2 542 1 1 588 1 1 734 1 1 770 1 1 795 1 1 //