MassBank Record: KZ000127



 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: KZ000127
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_04929_P000047

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 2397.32 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: splash10-0wos-0921000000-68fb82f427417ec703a0 PK$NUM_PEAK: 269 PK$PEAK: m/z int. rel.int. 82 9 9 83 21 21 85 28 28 86 4 4 87 26 26 88 7 7 89 74 74 90 7 7 91 6 6 92 1 1 93 2 2 94 1 1 95 7 7 96 2 2 97 14 14 98 4 4 99 25 25 100 4 4 101 67 67 102 18 18 103 913 913 104 98 98 105 46 46 106 3 3 107 2 2 108 1 1 109 58 58 110 5 5 111 26 26 112 4 4 113 50 50 114 12 12 115 30 30 116 42 42 117 259 259 118 31 31 119 31 31 120 3 3 121 2 2 123 2 2 124 1 1 125 6 6 126 3 3 127 22 22 128 7 7 129 660 660 130 91 91 131 150 150 132 25 25 133 188 188 134 28 28 135 20 20 136 2 2 137 2 2 139 21 21 140 5 5 141 21 21 142 16 16 143 90 90 144 13 13 145 26 26 146 6 6 147 999 999 148 182 182 149 132 132 150 18 18 151 11 11 152 2 2 153 26 26 154 7 7 155 112 112 156 20 20 157 85 85 158 12 12 159 17 17 160 3 3 161 9 9 162 2 2 163 20 20 164 4 4 165 2 2 166 1 1 167 5 5 168 2 2 169 423 423 170 75 75 171 41 41 172 6 6 173 26 26 174 5 5 175 16 16 176 4 4 177 16 16 178 3 3 179 2 2 180 1 1 181 9 9 182 3 3 183 25 25 184 4 4 185 6 6 186 1 1 187 6 6 188 1 1 189 108 108 190 28 28 191 557 557 192 120 120 193 61 61 194 9 9 195 3 3 196 1 1 197 2 2 198 1 1 199 13 13 200 3 3 201 8 8 202 5 5 203 43 43 204 203 203 205 106 106 206 36 36 207 20 20 208 4 4 209 2 2 211 2 2 212 1 1 213 2 2 214 1 1 215 13 13 216 8 8 217 345 345 218 110 110 219 51 51 220 10 10 221 30 30 222 8 8 223 5 5 224 1 1 225 1 1 227 15 15 228 6 6 229 39 39 230 18 18 231 29 29 232 9 9 233 18 18 234 6 6 235 3 3 236 1 1 237 1 1 238 1 1 239 3 3 240 1 1 241 14 14 242 11 11 243 168 168 244 44 44 245 38 38 246 10 10 247 9 9 248 3 3 249 1 1 250 1 1 251 1 1 252 1 1 253 1 1 254 1 1 255 6 6 256 4 4 257 11 11 258 4 4 259 10 10 260 3 3 261 2 2 262 2 2 263 7 7 264 3 3 265 5 5 266 2 2 267 1 1 268 1 1 269 1 1 270 14 14 271 146 146 272 38 38 273 21 21 274 5 5 275 2 2 276 1 1 277 2 2 278 2 2 279 5 5 280 2 2 281 1 1 283 1 1 284 1 1 285 1 1 286 1 1 287 4 4 288 2 2 289 4 4 290 7 7 291 19 19 292 7 7 293 5 5 294 1 1 295 1 1 296 1 1 297 1 1 298 1 1 300 1 1 301 1 1 302 1 1 303 2 2 304 7 7 305 17 17 306 7 7 307 4 4 308 1 1 309 1 1 310 1 1 311 1 1 312 1 1 313 1 1 314 1 1 315 1 1 316 2 2 317 7 7 318 13 13 319 33 33 320 12 12 321 6 6 322 2 2 323 1 1 329 1 1 330 12 12 331 45 45 332 25 25 333 11 11 334 3 3 335 1 1 343 1 1 344 2 2 345 12 12 346 4 4 347 3 3 348 1 1 349 2 2 350 1 1 359 2 2 360 98 98 361 619 619 362 213 213 363 109 109 364 26 26 365 7 7 366 1 1 373 1 1 376 2 2 377 4 4 378 2 2 379 2 2 380 1 1 434 3 3 435 1 1 436 1 1 450 2 2 462 1 1 //