MassBank Record: KZ000126



 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: KZ000126
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_04904_P000006

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 2362.12 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-9832000000-b3259de2e25ea7293565 PK$NUM_PEAK: 188 PK$PEAK: m/z int. rel.int. 39 2 2 41 5 5 42 2 2 43 14 14 44 6 6 45 45 45 46 3 3 47 5 5 52 1 1 53 5 5 54 6 6 55 18 18 56 4 4 57 3 3 58 4 4 59 19 19 60 2 2 61 3 3 65 1 1 66 2 2 67 2 2 68 1 1 69 20 20 70 2 2 71 3 3 72 12 12 73 999 999 74 83 83 75 69 69 76 3 3 77 3 3 81 16 16 82 1 1 83 3 3 85 4 4 87 3 3 88 1 1 89 10 10 90 1 1 91 1 1 97 2 2 99 4 4 101 13 13 102 2 2 103 153 153 104 14 14 105 6 6 109 7 7 111 3 3 113 7 7 114 2 2 115 5 5 116 7 7 117 43 43 118 4 4 119 4 4 125 1 1 127 4 4 128 1 1 129 115 115 130 14 14 131 24 24 132 4 4 133 32 32 134 4 4 135 3 3 139 3 3 140 1 1 141 3 3 142 4 4 143 19 19 144 2 2 145 6 6 146 1 1 147 202 202 148 32 32 149 24 24 150 3 3 151 2 2 153 3 3 154 1 1 155 18 18 156 3 3 157 15 15 158 2 2 159 3 3 161 2 2 163 3 3 167 1 1 169 69 69 170 11 11 171 7 7 172 1 1 173 4 4 174 1 1 175 3 3 177 3 3 181 1 1 183 5 5 184 1 1 185 1 1 187 1 1 189 30 30 190 7 7 191 233 233 192 42 42 193 19 19 194 2 2 199 2 2 201 2 2 202 1 1 203 11 11 204 71 71 205 29 29 206 9 9 207 6 6 208 1 1 215 4 4 216 2 2 217 133 133 218 35 35 219 16 16 220 3 3 221 9 9 222 2 2 223 1 1 227 3 3 228 1 1 229 10 10 230 6 6 231 10 10 232 3 3 233 6 6 234 2 2 241 3 3 242 2 2 243 39 39 244 11 11 245 10 10 246 2 2 247 2 2 255 1 1 257 4 4 258 1 1 259 3 3 260 1 1 263 3 3 264 1 1 265 2 2 270 1 1 271 37 37 272 9 9 273 5 5 274 1 1 279 2 2 287 1 1 289 1 1 290 3 3 291 6 6 292 2 2 293 1 1 304 1 1 305 5 5 306 3 3 307 1 1 317 2 2 318 2 2 319 10 10 320 6 6 321 2 2 322 1 1 330 1 1 331 10 10 332 7 7 333 3 3 334 1 1 345 2 2 360 14 14 361 251 251 362 81 81 363 36 36 364 7 7 365 2 2 377 1 1 435 2 2 436 1 1 451 2 2 463 1 1 //