MassBank Record: KZ000128



 D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:361 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000128
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:361
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_04929_P000048

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: KEGG C01083 CH$LINK: INCHIKEY HDTRYLNUVZCQOY-LIZSDCNHSA-N CH$LINK: COMPTOX DTXSID3048102
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 2400.27 sec
MS$FOCUSED_ION: BASE_PEAK 361 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0j4m-0943000000-07c11d483e4278dc639a PK$NUM_PEAK: 254 PK$PEAK: m/z int. rel.int. 82 3 3 83 8 8 85 12 12 86 1 1 87 9 9 88 2 2 89 26 26 90 2 2 91 1 1 95 2 2 97 7 7 98 2 2 99 12 12 100 2 2 101 38 38 102 9 9 103 509 509 104 48 48 105 20 20 106 1 1 107 1 1 109 22 22 110 2 2 111 9 9 112 2 2 113 25 25 114 7 7 115 14 14 116 21 21 117 126 126 118 15 15 119 14 14 120 2 2 121 1 1 123 1 1 125 3 3 126 2 2 127 14 14 128 5 5 129 381 381 130 48 48 131 74 74 132 12 12 133 84 84 134 13 13 135 10 10 136 1 1 137 1 1 138 1 1 139 11 11 140 3 3 141 15 15 142 16 16 143 73 73 144 11 11 145 23 23 146 5 5 147 743 743 148 111 111 149 80 80 150 10 10 151 6 6 152 1 1 153 12 12 154 4 4 155 66 66 156 13 13 157 57 57 158 9 9 159 11 11 160 2 2 161 8 8 162 2 2 163 13 13 164 3 3 165 1 1 166 1 1 167 4 4 168 2 2 169 264 264 170 44 44 171 25 25 172 4 4 173 16 16 174 4 4 175 11 11 176 3 3 177 12 12 178 3 3 179 2 2 180 1 1 181 6 6 182 2 2 183 20 20 184 4 4 185 6 6 186 2 2 187 8 8 188 2 2 189 115 115 190 28 28 191 730 730 192 128 128 193 57 57 194 7 7 195 3 3 196 1 1 197 2 2 198 1 1 199 13 13 200 3 3 201 8 8 202 6 6 203 41 41 204 284 284 205 126 126 206 39 39 207 23 23 208 5 5 209 3 3 210 1 1 211 2 2 212 1 1 213 2 2 214 1 1 215 18 18 216 7 7 217 575 575 218 136 136 219 64 64 220 12 12 221 35 35 222 9 9 223 5 5 224 1 1 225 1 1 227 14 14 228 6 6 229 51 51 230 27 27 231 43 43 232 12 12 233 28 28 234 10 10 235 4 4 236 1 1 237 1 1 239 2 2 240 1 1 241 19 19 242 8 8 243 181 181 244 55 55 245 50 50 246 12 12 247 14 14 248 3 3 249 2 2 250 1 1 253 1 1 254 1 1 255 8 8 256 4 4 257 20 20 258 6 6 259 19 19 260 5 5 261 3 3 262 1 1 263 18 18 264 4 4 265 10 10 266 3 3 267 1 1 269 1 1 270 3 3 271 184 184 272 48 48 273 28 28 274 5 5 275 3 3 276 1 1 277 2 2 278 3 3 279 7 7 280 2 2 281 1 1 285 1 1 287 4 4 288 2 2 289 4 4 290 7 7 291 26 26 292 9 9 293 5 5 294 1 1 295 1 1 303 2 2 304 6 6 305 26 26 306 13 13 307 7 7 308 2 2 309 1 1 313 1 1 315 1 1 316 1 1 317 10 10 318 11 11 319 55 55 320 28 28 321 12 12 322 4 4 323 2 2 324 1 1 330 5 5 331 44 44 332 33 33 333 15 15 334 6 6 335 2 2 336 1 1 344 1 1 345 5 5 346 3 3 347 2 2 348 1 1 349 1 1 359 1 1 360 42 42 361 999 999 362 310 310 363 143 143 364 31 31 365 8 8 366 1 1 373 1 1 377 5 5 378 2 2 379 2 2 393 1 1 405 1 1 407 1 1 434 1 1 435 11 11 436 5 5 437 2 2 450 2 2 451 10 10 452 4 4 453 2 2 463 5 5 464 2 2 465 1 1 //

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