MassBank Record: PR010048



 D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:73 
Mass Spectrum
Chemical Structure
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ACCESSION: PR010048
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 6138-23-4
AC$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: RETENTION_INDEX 2727.1 AC$CHROMATOGRAPHY: RETENTION_TIME 605.422 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C36H86O11Si8 MS$FOCUSED_ION: DERIVATIVE_MASS 918.43243 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-8932000000-c327fe31b8d3e86dd97d PK$NUM_PEAK: 164 PK$PEAK: m/z int. rel.int. 60 2 2 61 5 5 65 1 1 66 5 5 67 4 4 69 11 11 70 2 2 71 4 4 72 12 12 73 999 999 74 85 85 75 64 64 76 5 5 77 6 6 81 20 20 82 1 1 83 4 4 85 5 5 87 4 4 88 1 1 89 12 12 90 1 1 91 1 1 95 1 1 97 2 2 99 5 5 101 15 15 102 3 3 103 176 176 104 16 16 105 7 7 109 9 9 111 4 4 113 9 9 114 2 2 115 6 6 116 8 8 117 49 49 118 5 5 119 5 5 125 1 1 127 4 4 128 1 1 129 131 131 130 16 16 131 27 27 132 4 4 133 37 37 134 5 5 135 4 4 139 3 3 141 4 4 142 4 4 143 19 19 144 2 2 145 6 6 146 1 1 147 209 209 148 32 32 149 25 25 150 3 3 151 2 2 153 4 4 154 1 1 155 20 20 156 3 3 157 16 16 158 2 2 159 3 3 161 2 2 163 3 3 167 1 1 169 85 85 170 14 14 171 8 8 172 1 1 173 5 5 174 1 1 175 3 3 177 4 4 181 1 1 183 5 5 185 1 1 187 1 1 189 25 25 190 6 6 191 227 227 192 39 39 193 18 18 194 2 2 199 3 3 201 1 1 202 1 1 203 9 9 204 63 63 205 25 25 206 8 8 207 5 5 208 1 1 215 3 3 216 1 1 217 113 113 218 29 29 219 13 13 220 2 2 221 7 7 222 1 1 223 1 1 227 2 2 228 1 1 229 9 9 230 5 5 231 8 8 232 2 2 233 5 5 234 2 2 241 3 3 242 1 1 243 35 35 244 10 10 245 9 9 246 2 2 247 2 2 255 1 1 257 4 4 258 1 1 259 3 3 260 1 1 263 3 3 265 2 2 271 36 36 272 9 9 273 5 5 274 1 1 279 2 2 287 1 1 289 1 1 290 2 2 291 6 6 292 2 2 293 1 1 304 1 1 305 5 5 306 2 2 307 1 1 317 2 2 318 1 1 319 11 11 320 4 4 321 2 2 331 11 11 332 6 6 333 3 3 334 1 1 345 1 1 360 5 5 361 166 166 362 55 55 363 27 27 364 6 6 365 1 1 377 1 1 435 2 2 451 1 1 //