ACCESSION: MSBNK-Kazusa-KZ000219
RECORD_TITLE: L-(-)-Malic acid; GC-EI-TOF; MS; 3 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//