ACCESSION: MSBNK-RIKEN-PR010107
RECORD_TITLE: D-(+)-Galacturonic acid; GC-EI-TOF; MS; 5 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$NAME: D-(+)-Galacturonic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₀O₇
CH$EXACT_MASS: 194.04265
CH$SMILES: OC(=O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C(O)1
CH$IUPAC: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6?/m0/s1
CH$LINK: CAS 91510-62-2
CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-YMDCURPLSA-N

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$CHROMATOGRAPHY: RETENTION_INDEX 1929.8
AC$CHROMATOGRAPHY: RETENTION_TIME 467.366 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C21H50O7Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 554.24029
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9511000000-2c767b1b67bd24959e9b
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 5 5
  66 3 3
  67 3 3
  69 1 1
  70 4 4
  71 3 3
  72 16 16
  73 999 999
  74 85 85
  75 53 53
  76 4 4
  77 6 6
  82 3 3
  83 3 3
  84 2 2
  85 3 3
  86 4 4
  87 3 3
  88 1 1
  89 47 47
  90 4 4
  91 2 2
  98 1 1
  99 4 4
  100 8 8
  101 8 8
  102 12 12
  103 32 32
  104 3 3
  105 23 23
  106 2 2
  107 1 1
  111 1 1
  112 1 1
  113 2 2
  114 8 8
  115 6 6
  116 4 4
  117 9 9
  118 1 1
  119 4 4
  126 1 1
  127 3 3
  128 3 3
  129 17 17
  130 8 8
  131 19 19
  132 3 3
  133 41 41
  134 5 5
  135 3 3
  140 1 1
  141 1 1
  142 4 4
  143 52 52
  144 7 7
  145 6 6
  146 1 1
  147 182 182
  148 27 27
  149 18 18
  150 2 2
  151 1 1
  156 1 1
  157 2 2
  158 4 4
  159 2 2
  160 153 153
  161 20 20
  162 7 7
  163 7 7
  164 1 1
  168 1 1
  170 1 1
  171 18 18
  172 4 4
  173 4 4
  174 2 2
  175 2 2
  177 1 1
  186 1 1
  189 36 36
  190 8 8
  191 14 14
  192 2 2
  193 1 1
  200 1 1
  201 1 1
  203 1 1
  204 19 19
  205 6 6
  206 2 2
  207 4 4
  208 1 1
  214 1 1
  215 2 2
  216 7 7
  217 27 27
  218 6 6
  219 17 17
  220 3 3
  221 9 9
  222 2 2
  223 1 1
  228 1 1
  229 1 1
  230 1 1
  231 6 6
  232 2 2
  233 2 2
  234 2 2
  240 1 1
  242 1 1
  244 1 1
  245 3 3
  246 2 2
  247 1 1
  248 1 1
  256 2 2
  257 1 1
  261 1 1
  262 1 1
  263 1 1
  274 6 6
  275 1 1
  277 7 7
  278 2 2
  279 1 1
  291 3 3
  292 6 6
  293 2 2
  294 1 1
  305 12 12
  306 5 5
  307 2 2
  314 3 3
  315 1 1
  318 2 2
  319 1 1
  321 1 1
  332 4 4
  333 139 139
  334 42 42
  335 21 21
  336 4 4
  337 1 1
  345 1 1
  364 6 6
  365 2 2
  366 1 1
  388 1 1
  393 2 2
  394 1 1
  395 1 1
  419 1 1
  422 1 1
  423 11 11
  424 4 4
  425 2 2
//