MassBank Record: KZ000129



 D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:191 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000129
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:191
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_04967_P000051

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$LINK: INCHIKEY HDTRYLNUVZCQOY-LIZSDCNHSA-N
AC$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 1135.91 sec
MS$FOCUSED_ION: BASE_PEAK 191 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0wmm-0953000000-b74403fa3ce6ce0339eb PK$NUM_PEAK: 280 PK$PEAK: m/z int. rel.int. 82 5 5 83 11 11 85 21 21 86 1 1 87 14 14 88 3 3 89 33 33 90 2 2 91 1 1 97 7 7 98 2 2 99 15 15 100 2 2 101 52 52 102 14 14 103 957 957 104 80 80 105 26 26 106 1 1 109 18 18 110 2 2 111 2 2 112 1 1 113 32 32 114 10 10 115 9 9 116 19 19 117 150 150 118 18 18 119 11 11 120 2 2 121 1 1 122 1 1 123 1 1 124 1 1 125 2 2 126 2 2 127 17 17 128 6 6 129 533 533 130 62 62 131 76 76 132 11 11 133 24 24 134 7 7 135 3 3 136 1 1 137 1 1 138 1 1 139 7 7 140 3 3 141 15 15 142 19 19 143 78 78 144 13 13 145 30 30 146 6 6 147 811 811 148 112 112 149 57 57 150 8 8 151 1 1 152 1 1 153 3 3 154 3 3 155 36 36 156 10 10 157 44 44 158 9 9 159 8 8 160 3 3 161 9 9 162 2 2 163 10 10 164 3 3 165 1 1 166 1 1 167 3 3 168 2 2 169 243 243 170 41 41 171 21 21 172 4 4 173 11 11 174 3 3 175 5 5 176 3 3 177 3 3 178 2 2 179 1 1 180 1 1 181 4 4 182 1 1 183 9 9 184 2 2 185 3 3 186 2 2 187 9 9 188 3 3 189 101 101 190 31 31 191 999 999 192 156 156 193 69 69 194 9 9 195 4 4 196 2 2 197 2 2 198 2 2 199 12 12 200 4 4 201 7 7 202 8 8 203 33 33 204 323 323 205 146 146 206 47 47 207 21 21 208 5 5 209 2 2 210 1 1 211 1 1 212 1 1 213 2 2 214 1 1 215 17 17 216 7 7 217 778 778 218 171 171 219 83 83 220 14 14 221 35 35 222 10 10 223 6 6 224 2 2 225 1 1 226 1 1 227 8 8 228 7 7 229 69 69 230 35 35 231 50 50 232 14 14 233 36 36 234 15 15 235 6 6 236 2 2 237 1 1 238 1 1 239 2 2 240 1 1 241 25 25 242 11 11 243 190 190 244 77 77 245 67 67 246 17 17 247 19 19 248 5 5 249 3 3 250 1 1 251 1 1 252 1 1 253 1 1 254 1 1 255 7 7 256 4 4 257 21 21 258 7 7 259 23 23 260 7 7 261 4 4 262 2 2 263 27 27 264 7 7 265 16 16 266 4 4 267 2 2 268 1 1 269 1 1 270 3 3 271 237 237 272 65 65 273 33 33 274 7 7 275 3 3 276 1 1 277 2 2 278 3 3 279 8 8 280 3 3 281 1 1 283 1 1 285 1 1 287 5 5 288 2 2 289 5 5 290 9 9 291 26 26 292 12 12 293 7 7 294 2 2 295 1 1 296 1 1 301 1 1 302 1 1 303 2 2 304 7 7 305 31 31 306 20 20 307 11 11 308 4 4 309 2 2 310 1 1 312 1 1 313 1 1 314 1 1 315 1 1 316 1 1 317 11 11 318 14 14 319 81 81 320 47 47 321 20 20 322 7 7 323 3 3 324 1 1 325 1 1 329 1 1 330 5 5 331 51 51 332 47 47 333 25 25 334 10 10 335 3 3 336 1 1 337 1 1 344 1 1 345 4 4 346 6 6 347 2 2 348 1 1 349 1 1 350 1 1 359 1 1 361 889 889 362 324 324 363 169 169 364 45 45 365 12 12 366 2 2 367 1 1 373 2 2 377 12 12 378 4 4 379 4 4 380 1 1 393 2 2 394 1 1 395 1 1 405 1 1 406 1 1 407 2 2 408 1 1 409 1 1 435 17 17 436 9 9 437 5 5 438 2 2 450 3 3 451 24 24 452 11 11 453 6 6 454 1 1 463 10 10 464 5 5 465 4 4 466 2 2 467 2 2 475 1 1 //