ACCESSION: MSBNK-RIKEN-PR010108
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$CHROMATOGRAPHY: RETENTION_INDEX 1951.2
AC$CHROMATOGRAPHY: RETENTION_TIME 471.623 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$SPLASH: splash10-00di-9411000000-49f37b8e16fba30fd50e
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
  60 3 3
  61 4 4
  66 3 3
  67 2 2
  70 3 3
  71 3 3
  72 15 15
  73 999 999
  74 83 83
  75 48 48
  76 3 3
  77 4 4
  82 1 1
  83 3 3
  84 1 1
  85 2 2
  86 2 2
  87 2 2
  88 1 1
  89 49 49
  90 4 4
  91 2 2
  96 1 1
  99 3 3
  100 7 7
  101 6 6
  102 11 11
  103 63 63
  104 6 6
  105 12 12
  106 1 1
  111 1 1
  113 2 2
  114 3 3
  115 3 3
  116 3 3
  117 7 7
  118 1 1
  119 5 5
  126 1 1
  127 2 2
  128 1 1
  129 14 14
  130 7 7
  131 17 17
  132 3 3
  133 43 43
  134 5 5
  135 3 3
  141 1 1
  142 1 1
  143 40 40
  144 5 5
  145 4 4
  147 143 143
  148 22 22
  149 15 15
  150 1 1
  151 1 1
  157 1 1
  158 1 1
  159 1 1
  160 71 71
  161 10 10
  162 3 3
  163 6 6
  164 1 1
  171 16 16
  172 4 4
  173 3 3
  174 1 1
  175 2 2
  177 2 2
  182 1 1
  183 1 1
  187 1 1
  189 26 26
  190 6 6
  191 11 11
  192 2 2
  193 1 1
  201 1 1
  203 1 1
  204 13 13
  205 7 7
  206 2 2
  207 3 3
  214 2 2
  215 1 1
  216 1 1
  217 20 20
  218 4 4
  219 13 13
  220 3 3
  221 7 7
  222 1 1
  223 1 1
  229 1 1
  230 1 1
  231 3 3
  232 1 1
  233 3 3
  234 1 1
  235 1 1
  245 4 4
  246 1 1
  274 1 1
  277 4 4
  278 1 1
  291 2 2
  292 24 24
  293 7 7
  294 3 3
  305 10 10
  306 4 4
  307 1 1
  318 1 1
  319 1 1
  321 1 1
  332 3 3
  333 118 118
  334 36 36
  335 18 18
  336 4 4
  337 1 1
  345 1 1
  361 1 1
  393 1 1
  419 1 1
  423 8 8
  424 3 3
  425 1 1
//