MassBank Record: KZ000220



 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: KZ000220
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_05043_P000044

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 714.863 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-0920000000-505483ce10ee3c4c9d20 PK$NUM_PEAK: 133 PK$PEAK: m/z int. rel.int. 83 4 4 84 5 5 85 11 11 86 2 2 87 9 9 88 2 2 89 5 5 93 6 6 95 2 2 97 1 1 98 1 1 99 15 15 100 2 2 101 159 159 102 19 19 103 23 23 104 3 3 105 8 8 106 1 1 107 1 1 113 3 3 114 1 1 115 20 20 116 22 22 117 75 75 118 10 10 119 16 16 120 2 2 121 1 1 127 1 1 128 1 1 129 20 20 130 2 2 131 63 63 132 12 12 133 195 195 134 28 28 135 20 20 136 2 2 137 1 1 141 1 1 142 1 1 143 45 45 144 8 8 145 10 10 146 3 3 147 999 999 148 161 161 149 96 96 150 11 11 151 12 12 152 2 2 153 1 1 155 1 1 157 3 3 159 3 3 161 2 2 162 1 1 163 3 3 171 43 43 172 6 6 173 7 7 175 81 81 176 15 15 177 30 30 178 5 5 179 2 2 185 4 4 186 1 1 187 1 1 189 142 142 190 108 108 191 90 90 192 21 21 193 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 42 42 218 10 10 219 6 6 220 1 1 221 21 21 222 6 6 223 3 3 229 1 1 231 2 2 232 2 2 233 265 265 234 52 52 235 26 26 236 3 3 237 1 1 244 1 1 245 116 116 246 26 26 247 18 18 248 3 3 249 1 1 259 1 1 260 3 3 261 1 1 263 32 32 264 12 12 265 40 40 266 12 12 267 5 5 268 1 1 291 1 1 292 1 1 293 1 1 305 9 9 306 15 15 307 39 39 308 20 20 309 8 8 310 2 2 319 14 14 320 4 4 321 2 2 334 1 1 335 35 35 336 10 10 337 5 5 338 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)