MassBank Record: OUF00219



 D-(+)-Turanose; GC-EI-TOF; MS; n TMS; RT:1017.749 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00219
RECORD_TITLE: D-(+)-Turanose; GC-EI-TOF; MS; n TMS; RT:1017.749 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$NAME: D-(+)-Turanose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C12H22O11 CH$EXACT_MASS: 342.11621 CH$SMILES: OCC(O1)C(O)C(O)C(O)C([H])1OC(C(O)2)C(O)(CO)OCC(O)2 CH$IUPAC: InChI=1S/C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12?/m1/s1 CH$LINK: CAS 5349-40-6 CH$LINK: CHEMSPIDER 21468735 CH$LINK: INCHIKEY SEWFWJUQVJHATO-PUVWEJBASA-N
AC$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 2743.000 AC$CHROMATOGRAPHY: RETENTION_TIME 1017.749 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-1001-0952000000-67728cbaad9d6a7b7ad3 PK$NUM_PEAK: 280 PK$PEAK: m/z int. rel.int. 85 30 30 86 14 14 87 27 27 88 20 20 89 201 201 90 21 21 91 11 11 92 1 1 93 1 1 94 6 6 95 4 4 96 5 5 97 9 9 98 7 7 99 23 23 100 22 22 101 80 80 102 22 22 103 799 799 104 83 83 105 44 44 106 5 5 107 2 2 108 4 4 109 18 18 110 10 10 111 15 15 112 8 8 113 36 36 114 87 87 115 33 33 116 39 39 117 402 402 118 47 47 119 46 46 120 5 5 121 2 2 122 1 1 123 1 1 124 5 5 125 4 4 126 33 33 127 23 23 128 16 16 129 321 321 130 51 51 131 90 90 132 21 21 133 215 215 134 34 34 135 21 21 136 2 2 137 1 1 138 3 3 139 8 8 140 11 11 141 15 15 142 24 24 143 59 59 144 14 14 145 24 24 146 6 6 147 999 999 148 167 167 149 118 118 150 16 16 151 9 9 152 7 7 153 13 13 154 15 15 155 39 39 156 28 28 157 48 48 158 12 12 159 17 17 160 5 5 161 11 11 162 2 2 163 27 27 164 5 5 165 3 3 166 6 6 167 5 5 168 18 18 169 136 136 170 30 30 171 21 21 172 20 20 173 41 41 174 11 11 175 22 22 176 6 6 177 15 15 178 4 4 179 3 3 180 11 11 181 7 7 182 7 7 183 14 14 184 7 7 185 5 5 186 9 9 187 7 7 188 6 6 189 88 88 190 41 41 191 239 239 192 51 51 193 25 25 194 4 4 195 2 2 196 10 10 197 4 4 198 12 12 199 8 8 200 4 4 201 12 12 202 36 36 203 31 31 204 449 449 205 456 456 206 120 120 207 51 51 208 9 9 209 3 3 210 1 1 212 4 4 213 2 2 214 77 77 215 31 31 216 20 20 217 589 589 218 162 162 219 75 75 220 15 15 221 30 30 222 9 9 223 4 4 224 1 1 226 1 1 227 5 5 228 9 9 229 29 29 230 22 22 231 31 31 232 13 13 233 17 17 234 5 5 235 2 2 238 1 1 239 2 2 240 6 6 241 9 9 242 10 10 243 66 66 244 103 103 245 54 54 246 24 24 247 11 11 248 3 3 249 1 1 250 1 1 252 1 1 253 1 1 254 5 5 255 5 5 256 22 22 257 17 17 258 10 10 259 10 10 260 35 35 261 20 20 262 12 12 263 47 47 264 20 20 265 11 11 266 3 3 267 2 2 268 6 6 269 4 4 270 8 8 271 53 53 272 30 30 273 15 15 274 7 7 275 55 55 276 173 173 277 94 94 278 40 40 279 16 16 280 4 4 281 1 1 283 1 1 284 1 1 285 1 1 286 3 3 287 4 4 288 8 8 289 6 6 290 2 2 291 16 16 292 10 10 293 4 4 294 1 1 295 1 1 300 4 4 301 2 2 302 3 3 303 2 2 304 4 4 305 20 20 306 18 18 307 205 205 308 121 121 309 48 48 310 17 17 311 3 3 314 1 1 316 1 1 317 4 4 318 5 5 319 20 20 320 13 13 321 5 5 322 2 2 328 1 1 329 1 1 330 2 2 331 20 20 332 19 19 333 14 14 334 7 7 335 8 8 336 6 6 337 2 2 344 2 2 345 6 6 346 7 7 347 5 5 348 3 3 349 2 2 358 2 2 359 5 5 360 15 15 361 194 194 362 140 140 363 58 58 364 28 28 365 10 10 366 2 2 375 1 1 376 2 2 377 3 3 378 2 2 389 3 3 390 41 41 391 47 47 392 29 29 393 11 11 394 3 3 395 1 1 407 1 1 434 1 1 435 3 3 436 2 2 449 1 1 450 3 3 451 3 3 452 2 2 464 1 1 466 1 1 479 3 3 480 21 21 481 20 20 482 10 10 483 3 3 484 1 1 497 2 2 498 2 2 499 1 1 //