MassBank Record: KZ000023



 D-(+)-Malic acid; GC-EI-TOF; MS; 3 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000023
RECORD_TITLE: D-(+)-Malic acid; GC-EI-TOF; MS; 3 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_01471_P000101

CH$NAME: D-(+)-Malic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H6O5 CH$EXACT_MASS: 134.02152 CH$SMILES: OC(=O)C[C@H](O)C(O)=O CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 CH$LINK: CAS 636-61-3 CH$LINK: KEGG C00497 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID90892496
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 1538.2 AC$CHROMATOGRAPHY: RETENTION_TIME 714.812 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-0930000000-53a536e3bc82b8e91612 PK$NUM_PEAK: 123 PK$PEAK: m/z int. rel.int. 82 1 1 83 5 5 84 4 4 85 11 11 86 2 2 87 7 7 88 1 1 89 5 5 99 11 11 100 1 1 101 114 114 102 11 11 103 10 10 104 1 1 105 4 4 113 2 2 115 10 10 116 11 11 117 41 41 118 5 5 119 6 6 120 1 1 128 1 1 129 15 15 130 2 2 131 42 42 132 7 7 133 117 117 134 13 13 135 8 8 136 1 1 142 1 1 143 27 27 144 5 5 145 7 7 146 2 2 147 999 999 148 146 146 149 80 80 150 9 9 151 10 10 152 1 1 155 1 1 157 3 3 159 3 3 160 1 1 161 2 2 162 1 1 163 2 2 171 55 55 172 7 7 173 9 9 175 87 87 176 16 16 177 25 25 178 4 4 179 2 2 185 3 3 186 1 1 187 1 1 189 183 183 190 154 154 191 104 104 192 23 23 193 7 7 194 1 1 201 1 1 203 10 10 204 5 5 205 5 5 206 1 1 207 4 4 208 1 1 209 1 1 215 1 1 216 1 1 217 38 38 218 9 9 219 5 5 220 1 1 221 15 15 222 4 4 223 2 2 229 1 1 231 2 2 232 1 1 233 383 383 234 78 78 235 33 33 236 4 4 237 1 1 245 199 199 246 39 39 247 24 24 248 3 3 249 1 1 259 2 2 260 5 5 261 1 1 263 40 40 264 9 9 265 52 52 266 13 13 267 7 7 268 1 1 291 1 1 292 1 1 293 1 1 305 10 10 306 17 17 307 41 41 308 24 24 309 10 10 310 3 3 319 14 14 320 5 5 321 2 2 322 1 1 335 60 60 336 16 16 337 7 7 338 1 1 350 1 1 //

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