MassBank Record: KZ000025



 D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000025
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:147
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_01484_P000155

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$CHROMATOGRAPHY: RETENTION_INDEX 2597.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1135.28 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0j4m-0932000000-8d7c80edd7f55e92ea29 PK$NUM_PEAK: 259 PK$PEAK: m/z int. rel.int. 82 7 7 83 17 17 84 4 4 85 26 26 86 4 4 87 22 22 88 7 7 89 59 59 90 6 6 91 5 5 92 1 1 93 2 2 94 2 2 95 6 6 96 2 2 97 12 12 98 4 4 99 25 25 100 4 4 101 76 76 102 17 17 103 738 738 104 73 73 105 33 33 106 2 2 107 2 2 108 1 1 109 36 36 110 3 3 111 22 22 112 4 4 113 40 40 114 10 10 115 28 28 116 39 39 117 208 208 118 23 23 119 24 24 120 3 3 121 2 2 123 1 1 124 1 1 125 6 6 126 2 2 127 21 21 128 7 7 129 544 544 130 70 70 131 120 120 132 20 20 133 159 159 134 23 23 135 17 17 136 2 2 137 2 2 138 1 1 139 15 15 140 4 4 141 19 19 142 20 20 143 91 91 144 13 13 145 29 29 146 6 6 147 999 999 148 160 160 149 121 121 150 15 15 151 10 10 152 2 2 153 18 18 154 6 6 155 87 87 156 16 16 157 74 74 158 11 11 159 16 16 160 3 3 161 10 10 162 2 2 163 19 19 164 3 3 165 2 2 166 1 1 167 5 5 168 2 2 169 343 343 170 59 59 171 35 35 172 5 5 173 23 23 174 5 5 175 15 15 176 3 3 177 16 16 178 3 3 179 2 2 180 1 1 181 7 7 182 3 3 183 24 24 184 4 4 185 7 7 186 2 2 187 8 8 188 2 2 189 136 136 190 34 34 191 763 763 192 139 139 193 64 64 194 8 8 195 3 3 196 1 1 197 3 3 198 1 1 199 14 14 200 3 3 201 9 9 202 6 6 203 48 48 204 305 305 205 132 132 206 42 42 207 26 26 208 5 5 209 3 3 211 2 2 213 2 2 214 1 1 215 20 20 216 8 8 217 577 577 218 151 151 219 68 68 220 12 12 221 38 38 222 9 9 223 5 5 224 1 1 225 1 1 227 14 14 228 5 5 229 48 48 230 26 26 231 42 42 232 12 12 233 26 26 234 9 9 235 4 4 236 1 1 237 1 1 239 2 2 240 1 1 241 18 18 242 9 9 243 184 184 244 52 52 245 47 47 246 11 11 247 12 12 248 3 3 249 2 2 250 1 1 254 1 1 255 7 7 256 4 4 257 19 19 258 6 6 259 16 16 260 5 5 261 3 3 262 1 1 263 14 14 264 4 4 265 9 9 266 2 2 267 1 1 269 1 1 270 5 5 271 178 178 272 44 44 273 26 26 274 5 5 275 3 3 276 1 1 277 2 2 278 2 2 279 6 6 280 2 2 281 1 1 285 1 1 286 1 1 287 4 4 288 2 2 289 5 5 290 7 7 291 26 26 292 9 9 293 5 5 294 1 1 295 1 1 301 1 1 302 1 1 303 2 2 304 6 6 305 26 26 306 12 12 307 7 7 308 2 2 309 1 1 313 1 1 316 1 1 317 10 10 318 10 10 319 54 54 320 25 25 321 11 11 322 3 3 323 2 2 324 1 1 329 1 1 330 5 5 331 52 52 332 35 35 333 17 17 334 6 6 335 2 2 336 1 1 344 1 1 345 8 8 346 4 4 347 3 3 348 1 1 349 1 1 359 2 2 360 60 60 361 977 977 362 309 309 363 140 140 364 29 29 365 7 7 366 1 1 373 1 1 376 1 1 377 4 4 378 2 2 379 1 1 393 1 1 434 1 1 435 7 7 436 3 3 437 1 1 450 1 1 451 6 6 452 2 2 453 1 1 463 3 3 464 1 1 //