MassBank Record: KZ000125



 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: KZ000125
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_04505_P000178

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$CHROMATOGRAPHY: RETENTION_TIME 2388.27 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9511000000-2e5f22e6ba282283a569 PK$NUM_PEAK: 168 PK$PEAK: m/z int. rel.int. 38 1 1 39 5 5 41 8 8 42 7 7 43 39 39 44 14 14 45 91 91 46 5 5 47 12 12 49 1 1 51 2 2 52 4 4 53 9 9 54 6 6 55 21 21 56 5 5 57 6 6 58 10 10 59 26 26 60 3 3 61 5 5 65 1 1 66 6 6 67 3 3 68 1 1 69 19 19 70 3 3 71 4 4 72 13 13 73 999 999 74 85 85 75 80 80 76 5 5 77 9 9 79 1 1 81 18 18 82 1 1 83 4 4 84 1 1 85 5 5 87 4 4 88 1 1 89 10 10 90 1 1 91 1 1 95 1 1 97 2 2 99 4 4 101 12 12 102 2 2 103 115 115 104 11 11 105 5 5 109 6 6 111 3 3 113 6 6 114 1 1 115 4 4 116 6 6 117 32 32 118 2 2 119 3 3 125 1 1 127 3 3 129 82 82 130 9 9 131 18 18 132 3 3 133 27 27 134 3 3 135 2 2 139 2 2 141 2 2 142 3 3 143 11 11 144 1 1 145 3 3 147 143 143 148 23 23 149 18 18 150 2 2 151 1 1 153 2 2 155 14 14 156 2 2 157 10 10 158 1 1 159 2 2 161 1 1 163 2 2 169 46 46 170 8 8 171 4 4 173 3 3 175 2 2 177 2 2 183 3 3 185 1 1 187 1 1 189 18 18 190 5 5 191 141 141 192 25 25 193 11 11 194 1 1 199 1 1 201 1 1 202 1 1 203 7 7 204 42 42 205 16 16 206 5 5 207 3 3 215 2 2 216 3 3 217 76 76 218 19 19 219 9 9 220 1 1 221 5 5 222 1 1 227 2 2 229 5 5 230 3 3 231 5 5 232 1 1 233 3 3 234 1 1 241 2 2 242 2 2 243 21 21 244 6 6 245 5 5 246 1 1 247 1 1 255 1 1 257 2 2 259 1 1 263 1 1 265 1 1 270 2 2 271 19 19 272 5 5 273 3 3 279 1 1 290 2 2 291 3 3 292 1 1 304 1 1 305 3 3 306 1 1 317 1 1 318 2 2 319 5 5 320 3 3 321 1 1 330 2 2 331 5 5 332 5 5 333 2 2 345 1 1 360 30 30 361 136 136 362 41 41 363 19 19 364 3 3 365 1 1 377 1 1 //

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