MassBank Record: PR010144



 D-(+)-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: PR010144
RECORD_TITLE: D-(+)-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$NAME: D-(+)-Malic acid CH$NAME: D-Malic acid CH$NAME: D-Malate CH$NAME: (R)-Malate 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$LINK: CHEBI 30796 CH$LINK: CHEMPDB DMR CH$LINK: KEGG C00497 CH$LINK: NIKKAJI J14.674I CH$LINK: PUBCHEM 3780
AC$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 1478 AC$CHROMATOGRAPHY: RETENTION_TIME 359.242 sec
MS$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$SPLASH: splash10-00di-9610000000-883e07f52319a029b9f9 PK$NUM_PEAK: 106 PK$PEAK: m/z int. rel.int. 60 8 8 61 17 17 62 1 1 63 1 1 66 8 8 67 2 2 69 1 1 70 5 5 71 8 8 72 28 28 73 999 999 74 86 86 75 97 97 76 8 8 77 17 17 78 1 1 79 1 1 83 2 2 84 2 2 85 4 4 86 1 1 87 3 3 88 1 1 89 2 2 93 2 2 99 6 6 100 1 1 101 64 64 102 8 8 103 9 9 104 1 1 105 3 3 113 1 1 115 8 8 116 9 9 117 38 38 118 4 4 119 8 8 120 1 1 129 8 8 130 1 1 131 27 27 132 4 4 133 91 91 134 13 13 135 9 9 136 1 1 143 15 15 144 2 2 145 3 3 146 1 1 147 385 385 148 55 55 149 37 37 150 4 4 151 5 5 157 1 1 159 1 1 161 1 1 163 1 1 171 16 16 172 2 2 173 3 3 175 33 33 176 6 6 177 12 12 178 1 1 185 1 1 189 42 42 190 35 35 191 29 29 192 7 7 193 2 2 203 4 4 204 2 2 205 2 2 207 1 1 217 17 17 218 3 3 219 2 2 221 8 8 222 2 2 223 1 1 233 80 80 234 16 16 235 7 7 236 1 1 245 42 42 246 8 8 247 6 6 260 1 1 263 9 9 264 3 3 265 12 12 266 3 3 267 1 1 305 2 2 306 4 4 307 13 13 308 6 6 309 2 2 319 4 4 320 1 1 335 15 15 336 4 4 337 2 2 //