MassBank Record: KZ000219



 L-(-)-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: KZ000219
RECORD_TITLE: L-(-)-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_01570_P000116

CH$NAME: L-(-)-Malic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H6O5 CH$EXACT_MASS: 134.02152 CH$SMILES: OC(=O)CC(O)C(O)=O CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 CH$LINK: CAS 636-61-3 CH$LINK: KEGG C00497 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987
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 1539.1 AC$CHROMATOGRAPHY: RETENTION_TIME 715.279 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000t-0940000000-142d6f5fc2efbf0d5109 PK$NUM_PEAK: 160 PK$PEAK: m/z int. rel.int. 82 1 1 83 5 5 84 7 7 85 19 19 86 6 6 87 14 14 88 3 3 89 10 10 90 1 1 91 1 1 97 1 1 98 1 1 99 25 25 100 4 4 101 248 248 102 28 28 103 22 22 104 3 3 105 7 7 106 1 1 107 1 1 113 3 3 114 1 1 115 19 19 116 25 25 117 87 87 118 13 13 119 12 12 120 2 2 121 1 1 127 1 1 128 2 2 129 32 32 130 5 5 131 96 96 132 19 19 133 288 288 134 38 38 135 23 23 136 2 2 137 1 1 141 1 1 142 1 1 143 34 34 144 5 5 145 5 5 146 2 2 147 999 999 148 153 153 149 72 72 150 10 10 151 6 6 152 2 2 153 1 1 155 1 1 156 1 1 157 4 4 158 1 1 159 5 5 160 1 1 161 4 4 162 2 2 163 5 5 164 1 1 165 1 1 171 102 102 172 14 14 173 18 18 175 175 175 176 34 34 177 44 44 178 7 7 179 3 3 180 1 1 185 4 4 186 1 1 187 1 1 188 1 1 189 287 287 190 270 270 191 200 200 192 47 47 193 16 16 194 2 2 195 1 1 201 1 1 202 1 1 203 14 14 204 9 9 205 8 8 206 3 3 207 7 7 208 2 2 209 2 2 210 1 1 211 1 1 212 1 1 213 1 1 214 1 1 215 2 2 216 2 2 217 60 60 218 16 16 219 10 10 220 2 2 221 22 22 222 7 7 223 4 4 224 1 1 229 1 1 230 1 1 231 4 4 232 2 2 233 585 585 234 129 129 235 66 66 236 10 10 237 3 3 238 1 1 244 1 1 245 348 348 246 73 73 247 42 42 248 7 7 249 2 2 259 3 3 260 9 9 261 2 2 263 66 66 264 19 19 265 86 86 266 23 23 267 13 13 268 3 3 291 1 1 292 2 2 293 1 1 294 1 1 305 15 15 306 28 28 307 69 69 308 41 41 309 18 18 310 6 6 311 1 1 319 27 27 320 10 10 321 5 5 322 2 2 323 1 1 324 1 1 325 1 1 326 1 1 327 1 1 328 1 1 335 106 106 336 30 30 337 14 14 338 2 2 350 1 1 //

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