MassBank Record: PR010055



 L-(-)-Malic acid; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010055
RECORD_TITLE: L-(-)-Malic acid; GC-EI-TOF; MS; 3 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$NAME: L-(-)-Malic acid CH$NAME: L-Malic acid CH$NAME: L-Apple acid CH$NAME: L-Malate CH$NAME: (S)-Malate CH$NAME: L-2-Hydroxybutanedioic 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$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 CH$LINK: CAS 97-67-6 CH$LINK: CHEBI 30797 CH$LINK: KEGG C00149 CH$LINK: NIKKAJI J74.430A CH$LINK: PUBCHEM 3449
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$CHROMATOGRAPHY: RETENTION_INDEX 1474.5 AC$CHROMATOGRAPHY: RETENTION_TIME 364.966 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C13H30O5Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 350.1401 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9710000000-8f263d045d715ae9fe2b PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 60 8 8 61 18 18 62 1 1 66 9 9 67 2 2 70 4 4 71 8 8 72 28 28 73 999 999 74 94 94 75 95 95 76 7 7 77 8 8 83 1 1 84 1 1 85 5 5 86 1 1 87 4 4 88 1 1 89 2 2 99 6 6 100 1 1 101 72 72 102 9 9 103 10 10 104 1 1 105 4 4 113 1 1 115 10 10 116 11 11 117 45 45 118 5 5 119 8 8 120 1 1 129 9 9 130 1 1 131 30 30 132 5 5 133 100 100 134 14 14 135 11 11 136 1 1 143 17 17 144 2 2 145 3 3 146 1 1 147 389 389 148 63 63 149 43 43 150 5 5 151 5 5 157 1 1 159 1 1 161 1 1 163 1 1 171 18 18 172 3 3 173 3 3 175 36 36 176 8 8 177 13 13 178 1 1 185 1 1 189 48 48 190 41 41 191 35 35 192 8 8 193 2 2 203 4 4 204 2 2 205 2 2 207 1 1 217 18 18 218 4 4 219 2 2 221 9 9 222 2 2 223 1 1 233 90 90 234 19 19 235 9 9 236 1 1 245 48 48 246 10 10 247 7 7 248 1 1 260 1 1 263 10 10 264 3 3 265 14 14 266 4 4 267 2 2 305 2 2 306 5 5 307 15 15 308 7 7 309 3 3 310 1 1 319 5 5 320 1 1 321 1 1 335 17 17 336 5 5 337 2 2 //