ACCESSION: MSBNK-Kazusa-KZ000220
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_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
//