MassBank Record: KZ000048



 L-Iditol; GC-EI-TOF; MS; 6 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000048
RECORD_TITLE: L-Iditol; GC-EI-TOF; MS; 6 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_01565_P000102

CH$NAME: L-Iditol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H14O6 CH$EXACT_MASS: 182.07904 CH$SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1 CH$LINK: CAS 488-45-9 CH$LINK: KEGG C01507 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UNTFVMJOSA-N
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1829.7 AC$CHROMATOGRAPHY: RETENTION_TIME 848.913 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0gba-0931000000-50226a33e0e29a470510 PK$NUM_PEAK: 192 PK$PEAK: m/z int. rel.int. 82 1 1 83 34 34 84 6 6 85 15 15 86 4 4 87 27 27 88 21 21 89 113 113 90 11 11 91 6 6 92 1 1 93 1 1 94 1 1 95 2 2 96 1 1 97 23 23 98 3 3 99 16 16 100 3 3 101 96 96 102 19 19 103 790 790 104 81 81 105 40 40 106 3 3 107 1 1 108 1 1 109 1 1 111 12 12 112 2 2 113 19 19 114 3 3 115 23 23 116 27 27 117 384 384 118 41 41 119 34 34 120 3 3 121 2 2 125 2 2 126 1 1 127 10 10 128 2 2 129 295 295 130 37 37 131 94 94 132 14 14 133 186 186 134 26 26 135 17 17 136 1 1 137 1 1 139 1 1 140 1 1 141 6 6 142 4 4 143 45 45 144 6 6 145 12 12 146 3 3 147 999 999 148 168 168 149 102 102 150 11 11 151 6 6 152 1 1 153 2 2 154 1 1 155 11 11 156 3 3 157 165 165 158 22 22 159 14 14 160 2 2 161 8 8 162 2 2 163 15 15 164 2 2 165 1 1 167 3 3 168 1 1 169 13 13 170 2 2 171 2 2 172 1 1 173 3 3 174 1 1 175 21 21 176 4 4 177 10 10 178 2 2 179 1 1 181 1 1 182 1 1 183 19 19 184 3 3 185 2 2 186 1 1 187 2 2 188 1 1 189 89 89 190 25 25 191 81 81 192 15 15 193 8 8 194 1 1 201 4 4 202 2 2 203 11 11 204 101 101 205 403 403 206 85 85 207 45 45 208 7 7 209 2 2 215 5 5 216 2 2 217 554 554 218 124 124 219 56 56 220 9 9 221 26 26 222 6 6 223 3 3 224 1 1 229 47 47 230 16 16 231 47 47 232 10 10 233 4 4 234 1 1 235 1 1 237 1 1 239 3 3 240 1 1 241 1 1 243 6 6 244 1 1 245 1 1 246 1 1 247 4 4 248 1 1 249 1 1 250 1 1 255 19 19 256 5 5 257 6 6 258 1 1 259 13 13 260 3 3 261 1 1 263 1 1 265 5 5 266 1 1 267 1 1 273 1 1 277 25 25 278 13 13 279 5 5 280 1 1 291 15 15 292 5 5 293 2 2 305 16 16 306 12 12 307 81 81 308 24 24 309 12 12 310 2 2 317 1 1 318 7 7 319 268 268 320 83 83 321 40 40 322 9 9 323 2 2 329 2 2 330 2 2 331 24 24 332 7 7 333 4 4 334 1 1 344 1 1 345 12 12 346 4 4 347 2 2 409 2 2 419 6 6 420 3 3 421 7 7 422 2 2 423 1 1 //

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