MassBank Record: OUF00477



 D-(+)-Trehalose; GC-EI-TOF; MS; n TMS; RT:1009.540 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00477
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; n TMS; RT:1009.540 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$NAME: D-(+)-Trehalose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C12H22O11 CH$EXACT_MASS: 342.11621 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)2 CH$IUPAC: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 CH$LINK: CAS 99-20-7 CH$LINK: CHEMSPIDER 1111 CH$LINK: PUBCHEM 1143 CH$LINK: INCHIKEY HDTRYLNUVZCQOY-LIZSDCNHSA-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$CHROMATOGRAPHY: RETENTION_INDEX 2714.199 AC$CHROMATOGRAPHY: RETENTION_TIME 1009.540 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0i04-0932000000-8de0421184ae3291ea53 PK$NUM_PEAK: 252 PK$PEAK: m/z int. rel.int. 85 30 30 86 6 6 87 22 22 88 9 9 89 57 57 90 7 7 91 6 6 92 2 2 93 2 2 94 2 2 95 6 6 96 3 3 97 16 16 98 4 4 99 28 28 100 4 4 101 75 75 102 17 17 103 777 777 104 76 76 105 38 38 106 3 3 107 2 2 108 1 1 109 48 48 110 4 4 111 23 23 112 3 3 113 46 46 114 12 12 115 31 31 116 48 48 117 248 248 118 27 27 119 29 29 120 3 3 121 2 2 123 2 2 125 6 6 126 3 3 127 23 23 128 8 8 129 632 632 130 81 81 131 130 130 132 20 20 133 192 192 134 28 28 135 21 21 136 3 3 137 2 2 138 1 1 139 16 16 140 4 4 141 19 19 142 22 22 143 93 93 144 14 14 145 31 31 146 7 7 147 962 962 148 153 153 149 129 129 150 17 17 151 13 13 152 3 3 153 21 21 154 7 7 155 106 106 156 20 20 157 92 92 158 14 14 159 18 18 160 4 4 161 13 13 162 3 3 163 20 20 164 4 4 165 3 3 166 2 2 167 7 7 168 3 3 169 441 441 170 77 77 171 45 45 172 7 7 173 30 30 174 7 7 175 20 20 176 5 5 177 21 21 178 4 4 179 3 3 180 1 1 181 8 8 182 3 3 183 27 27 184 5 5 185 8 8 186 2 2 187 8 8 188 2 2 189 129 129 190 35 35 191 999 999 192 182 182 193 86 86 194 11 11 195 4 4 196 1 1 197 3 3 198 2 2 199 17 17 200 4 4 201 11 11 202 9 9 203 49 49 204 314 314 205 125 125 206 41 41 207 26 26 208 5 5 209 3 3 211 2 2 213 2 2 214 1 1 215 20 20 216 8 8 217 594 594 218 152 152 219 71 71 220 13 13 221 43 43 222 10 10 223 7 7 224 1 1 225 1 1 227 13 13 228 5 5 229 47 47 230 27 27 231 45 45 232 13 13 233 28 28 234 10 10 235 4 4 236 1 1 239 3 3 240 1 1 241 16 16 242 9 9 243 175 175 244 49 49 245 48 48 246 12 12 247 13 13 248 3 3 249 2 2 250 1 1 253 1 1 255 8 8 256 4 4 257 20 20 258 6 6 259 16 16 260 5 5 261 3 3 262 1 1 263 15 15 264 5 5 265 11 11 266 3 3 267 2 2 268 1 1 269 1 1 270 3 3 271 168 168 272 44 44 273 28 28 274 6 6 275 3 3 276 1 1 277 2 2 278 3 3 279 11 11 280 3 3 281 2 2 287 5 5 288 3 3 289 6 6 290 11 11 291 32 32 292 11 11 293 7 7 294 2 2 295 1 1 296 1 1 297 1 1 303 2 2 304 5 5 305 28 28 306 13 13 307 7 7 308 2 2 309 1 1 315 1 1 317 12 12 318 8 8 319 54 54 320 22 22 321 11 11 322 4 4 323 4 4 324 1 1 330 2 2 331 55 55 332 33 33 333 19 19 334 7 7 335 3 3 336 1 1 345 9 9 346 5 5 347 4 4 348 1 1 349 2 2 359 2 2 360 28 28 361 913 913 362 322 322 363 154 154 364 40 40 365 11 11 366 2 2 373 1 1 377 10 10 378 4 4 379 3 3 380 1 1 393 1 1 407 1 1 408 1 1 435 9 9 436 5 5 437 3 3 450 1 1 451 7 7 452 4 4 453 2 2 463 3 3 464 1 1 465 1 1 //