MassBank Record: KZ000246



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

ACCESSION: KZ000246
RECORD_TITLE: Myo-Inositol; 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_01722_P000145

CH$NAME: Myo-Inositol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H12O6 CH$EXACT_MASS: 180.06339 CH$SMILES: O[C@H]([C@@H](O)1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 CH$IUPAC: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- CH$LINK: CAS 87-89-8 CH$LINK: KEGG C00137 CH$LINK: INCHIKEY CDAISMWEOUEBRE-GPIVLXJGSA-N CH$LINK: COMPTOX DTXSID7023146
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 1972.2 AC$CHROMATOGRAPHY: RETENTION_TIME 913.044 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-014j-0953000000-1571a0577293e96091b1 PK$NUM_PEAK: 215 PK$PEAK: m/z int. rel.int. 82 2 2 83 8 8 85 8 8 86 1 1 87 10 10 88 2 2 89 5 5 95 1 1 97 2 2 98 1 1 99 9 9 100 1 1 101 22 22 102 8 8 103 182 182 104 19 19 105 12 12 106 1 1 107 1 1 109 4 4 111 9 9 112 2 2 113 9 9 114 2 2 115 8 8 116 11 11 117 18 18 118 3 3 119 10 10 120 2 2 121 1 1 125 2 2 126 1 1 127 11 11 128 2 2 129 228 228 130 30 30 131 78 78 132 12 12 133 144 144 134 22 22 135 13 13 136 1 1 137 1 1 139 2 2 140 1 1 141 6 6 142 6 6 143 72 72 144 10 10 145 11 11 146 3 3 147 999 999 148 156 156 149 83 83 150 9 9 151 4 4 152 1 1 153 3 3 154 1 1 155 5 5 156 4 4 157 17 17 158 3 3 159 5 5 160 1 1 161 14 14 162 2 2 163 5 5 164 1 1 165 1 1 169 3 3 170 1 1 171 1 1 173 2 2 174 1 1 175 7 7 176 2 2 177 12 12 178 3 3 179 2 2 181 2 2 183 1 1 185 2 2 186 1 1 187 2 2 188 1 1 189 33 33 190 31 31 191 393 393 192 75 75 193 34 34 194 4 4 195 1 1 197 1 1 199 1 1 201 3 3 202 1 1 203 13 13 204 133 133 205 41 41 206 17 17 207 20 20 208 5 5 209 3 3 211 1 1 213 1 1 215 11 11 216 5 5 217 803 803 218 159 159 219 70 70 220 10 10 221 59 59 222 17 17 223 9 9 224 2 2 225 1 1 227 1 1 228 1 1 229 3 3 230 12 12 231 9 9 232 3 3 233 1 1 235 2 2 237 1 1 239 2 2 240 1 1 241 1 1 242 1 1 243 12 12 244 4 4 245 4 4 246 1 1 247 1 1 249 1 1 250 1 1 251 1 1 253 1 1 255 3 3 256 1 1 257 2 2 258 1 1 259 1 1 263 1 1 264 1 1 265 108 108 266 36 36 267 17 17 268 4 4 269 1 1 270 1 1 271 3 3 272 1 1 277 2 2 278 2 2 279 2 2 280 1 1 289 1 1 290 1 1 291 28 28 292 11 11 293 12 12 294 4 4 295 1 1 303 2 2 304 12 12 305 443 443 306 132 132 307 82 82 308 18 18 309 5 5 310 1 1 316 2 2 317 17 17 318 229 229 319 101 101 320 43 43 321 11 11 322 2 2 327 1 1 329 1 1 331 2 2 342 1 1 343 9 9 344 4 4 345 3 3 346 1 1 366 1 1 367 31 31 368 11 11 369 6 6 370 1 1 378 1 1 379 2 2 380 1 1 392 3 3 393 16 16 394 7 7 395 3 3 396 1 1 406 1 1 407 1 1 417 2 2 418 1 1 419 6 6 420 3 3 421 1 1 431 4 4 432 47 47 433 37 37 434 18 18 435 7 7 436 2 2 //

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