MassBank Record: OUF00151



 D-(+)-Galacturonic acid; GC-EI-TOF; MS; n TMS; RT:742.491 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00151
RECORD_TITLE: D-(+)-Galacturonic acid; GC-EI-TOF; MS; n TMS; RT:742.491 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

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$LINK: CAS 685-73-4 CH$LINK: CHEBI 130140 CH$LINK: CHEMSPIDER 590 CH$LINK: PUBCHEM 610 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 1925.216 AC$CHROMATOGRAPHY: RETENTION_TIME 742.491 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-01qa-0923000000-4fc8123f185ffcba41fa PK$NUM_PEAK: 279 PK$PEAK: m/z int. rel.int. 85 25 25 86 27 27 87 25 25 88 11 11 89 233 233 90 22 22 91 13 13 92 2 2 93 3 3 94 3 3 95 3 3 96 2 2 97 4 4 98 8 8 99 33 33 100 45 45 101 52 52 102 61 61 103 157 157 104 20 20 105 104 104 106 12 12 107 5 5 108 1 1 109 1 1 110 4 4 111 10 10 112 11 11 113 16 16 114 45 45 115 39 39 116 27 27 117 52 52 118 10 10 119 29 29 120 5 5 121 3 3 122 1 1 123 1 1 124 2 2 125 3 3 126 11 11 127 20 20 128 22 22 129 98 98 130 46 46 131 113 113 132 24 24 133 245 245 134 37 37 135 24 24 136 3 3 137 1 1 138 2 2 139 2 2 140 5 5 141 9 9 142 22 22 143 280 280 144 41 41 145 34 34 146 8 8 147 999 999 148 162 162 149 110 110 150 15 15 151 9 9 152 6 6 153 2 2 154 4 4 155 5 5 156 7 7 157 14 14 158 24 24 159 14 14 160 812 812 161 113 113 162 40 40 163 42 42 164 8 8 165 4 4 166 4 4 167 1 1 168 10 10 169 4 4 170 9 9 171 112 112 172 29 29 173 25 25 174 16 16 175 18 18 176 4 4 177 11 11 178 2 2 179 1 1 181 1 1 182 5 5 183 3 3 184 2 2 185 4 4 186 8 8 187 5 5 188 5 5 189 205 205 190 53 53 191 83 83 192 17 17 193 10 10 194 4 4 195 1 1 196 1 1 198 4 4 199 2 2 200 7 7 201 7 7 202 4 4 203 10 10 204 106 106 205 33 33 206 13 13 207 27 27 208 6 6 209 4 4 210 4 4 211 1 1 212 1 1 213 1 1 214 6 6 215 13 13 216 41 41 217 154 154 218 36 36 219 96 96 220 21 21 221 56 56 222 13 13 223 8 8 224 3 3 225 1 1 226 3 3 227 1 1 228 7 7 229 8 8 230 9 9 231 36 36 232 15 15 233 13 13 234 12 12 235 4 4 236 2 2 237 1 1 238 1 1 239 1 1 240 7 7 241 3 3 242 6 6 243 5 5 244 6 6 245 26 26 246 13 13 247 7 7 248 6 6 249 3 3 250 1 1 251 1 1 254 1 1 255 1 1 256 12 12 257 7 7 258 3 3 259 2 2 260 2 2 261 6 6 262 10 10 263 7 7 264 2 2 265 3 3 266 1 1 267 1 1 268 2 2 269 1 1 270 1 1 272 2 2 273 2 2 274 33 33 275 10 10 276 4 4 277 36 36 278 14 14 279 10 10 280 3 3 281 1 1 282 2 2 283 1 1 284 1 1 286 1 1 288 1 1 289 1 1 290 2 2 291 18 18 292 34 34 293 17 17 294 8 8 295 2 2 302 2 2 303 3 3 304 5 5 305 70 70 306 34 34 307 17 17 308 6 6 309 1 1 314 18 18 315 6 6 316 3 3 317 2 2 318 12 12 319 6 6 320 4 4 321 6 6 322 2 2 323 1 1 328 2 2 330 5 5 331 4 4 332 19 19 333 816 816 334 276 276 335 139 139 336 34 34 337 10 10 338 2 2 344 3 3 345 8 8 346 3 3 347 3 3 348 2 2 349 1 1 351 3 3 352 1 1 353 1 1 361 3 3 362 1 1 363 2 2 364 36 36 365 15 15 366 7 7 367 4 4 368 1 1 372 1 1 373 1 1 374 1 1 376 1 1 379 2 2 380 1 1 388 9 9 389 4 4 390 2 2 391 1 1 392 1 1 393 13 13 394 8 8 395 6 6 396 2 2 397 1 1 404 1 1 418 1 1 419 6 6 420 3 3 421 2 2 422 4 4 423 47 47 424 26 26 425 13 13 426 4 4 427 1 1 451 1 1 478 2 2 479 1 1 //