MassBank Record: KZ000124



 D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000124
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:73
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_04501_P000206

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$CHROMATOGRAPHY: RETENTION_TIME 2387.82 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9511000000-b710c7c4bd86fd5f1af0 PK$NUM_PEAK: 245 PK$PEAK: m/z int. rel.int. 36 1 1 37 1 1 38 2 2 39 6 6 40 2 2 41 9 9 42 8 8 43 39 39 44 16 16 45 87 87 46 6 6 47 12 12 48 2 2 49 2 2 50 1 1 51 3 3 52 5 5 53 9 9 54 7 7 55 24 24 56 5 5 57 6 6 58 10 10 59 25 25 60 3 3 61 5 5 62 1 1 63 1 1 64 1 1 65 2 2 66 6 6 67 4 4 68 2 2 69 19 19 70 4 4 71 4 4 72 15 15 73 999 999 74 84 84 75 83 83 76 6 6 77 9 9 78 2 2 79 1 1 80 1 1 81 18 18 82 3 3 83 4 4 84 2 2 85 6 6 86 1 1 87 4 4 88 2 2 89 9 9 90 2 2 91 2 2 92 1 1 93 1 1 94 1 1 95 1 1 96 1 1 97 2 2 98 2 2 99 6 6 100 2 2 101 11 11 102 2 2 103 117 117 104 11 11 105 5 5 106 1 1 107 1 1 108 1 1 109 6 6 111 4 4 112 1 1 113 6 6 114 2 2 115 5 5 116 6 6 117 32 32 118 3 3 119 4 4 123 1 1 125 1 1 127 3 3 128 1 1 129 83 83 130 11 11 131 19 19 132 4 4 133 27 27 134 4 4 135 4 4 139 3 3 140 1 1 141 3 3 142 3 3 143 12 12 144 2 2 145 5 5 146 1 1 147 141 141 148 22 22 149 18 18 150 2 2 151 2 2 152 1 1 153 3 3 154 1 1 155 13 13 156 2 2 157 11 11 158 2 2 159 2 2 160 1 1 161 2 2 162 1 1 163 2 2 169 51 51 170 8 8 171 5 5 172 1 1 173 4 4 174 1 1 175 3 3 176 1 1 177 2 2 179 1 1 181 1 1 182 1 1 183 4 4 184 1 1 185 1 1 186 1 1 187 1 1 189 18 18 190 7 7 191 143 143 192 26 26 193 13 13 194 2 2 195 2 2 197 1 1 199 2 2 201 1 1 202 2 2 203 7 7 204 42 42 205 18 18 206 6 6 207 4 4 208 1 1 214 1 1 215 3 3 216 4 4 217 75 75 218 21 21 219 9 9 220 2 2 221 7 7 222 1 1 223 1 1 224 1 1 227 2 2 228 2 2 229 6 6 230 3 3 231 6 6 232 2 2 233 3 3 234 1 1 235 1 1 239 1 1 241 3 3 242 3 3 243 23 23 244 7 7 245 6 6 246 2 2 247 1 1 254 1 1 255 1 1 256 1 1 257 2 2 258 1 1 259 2 2 260 1 1 263 1 1 264 1 1 265 1 1 266 1 1 269 1 1 270 4 4 271 19 19 272 6 6 273 3 3 274 1 1 279 1 1 281 1 1 287 1 1 288 1 1 289 1 1 290 2 2 291 4 4 292 2 2 293 1 1 297 1 1 304 1 1 305 3 3 306 2 2 307 1 1 317 2 2 318 4 4 319 7 7 320 4 4 321 1 1 322 1 1 327 1 1 330 3 3 331 6 6 332 6 6 333 3 3 334 2 2 341 1 1 345 2 2 346 1 1 347 1 1 348 1 1 359 1 1 360 43 43 361 140 140 362 50 50 363 23 23 364 5 5 365 1 1 376 1 1 377 1 1 379 1 1 382 1 1 397 1 1 434 1 1 435 1 1 451 1 1 462 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)