MassBank Record: KZ000247



 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: KZ000247
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_P000146

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 1973.3 AC$CHROMATOGRAPHY: RETENTION_TIME 913.494 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kb-0932000000-96ddc21293431d746ad2 PK$NUM_PEAK: 181 PK$PEAK: m/z int. rel.int. 82 2 2 83 12 12 84 9 9 85 14 14 86 3 3 87 18 18 88 5 5 89 10 10 90 1 1 91 3 3 92 1 1 93 1 1 94 1 1 95 2 2 96 1 1 97 3 3 98 2 2 99 14 14 100 2 2 101 33 33 102 11 11 103 212 212 104 20 20 105 15 15 106 1 1 107 1 1 109 6 6 111 17 17 112 2 2 113 14 14 114 2 2 115 17 17 116 19 19 117 30 30 118 4 4 119 18 18 120 2 2 121 1 1 125 3 3 126 1 1 127 11 11 128 2 2 129 223 223 130 23 23 131 101 101 132 15 15 133 215 215 134 28 28 135 18 18 136 2 2 137 1 1 139 2 2 140 1 1 141 6 6 142 5 5 143 70 70 144 9 9 145 9 9 146 3 3 147 999 999 148 144 144 149 94 94 150 10 10 151 8 8 152 1 1 153 4 4 154 1 1 155 5 5 156 5 5 157 18 18 158 2 2 159 5 5 160 1 1 161 14 14 162 2 2 163 6 6 164 1 1 165 1 1 167 1 1 169 5 5 170 1 1 171 1 1 173 3 3 175 12 12 176 2 2 177 21 21 178 3 3 179 2 2 181 3 3 183 1 1 185 2 2 187 1 1 189 35 35 190 23 23 191 223 223 192 36 36 193 19 19 194 2 2 195 1 1 197 1 1 199 1 1 201 3 3 203 13 13 204 148 148 205 36 36 206 11 11 207 22 22 208 4 4 209 2 2 213 1 1 215 10 10 216 4 4 217 568 568 218 110 110 219 44 44 220 5 5 221 74 74 222 15 15 223 8 8 224 1 1 227 1 1 228 1 1 229 2 2 230 12 12 231 7 7 232 2 2 235 1 1 239 2 2 243 11 11 244 2 2 245 3 3 249 1 1 255 2 2 257 1 1 264 2 2 265 49 49 266 5 5 267 3 3 271 2 2 277 1 1 278 1 1 279 1 1 289 1 1 290 2 2 291 33 33 292 7 7 293 10 10 294 1 1 295 1 1 303 2 2 304 17 17 305 360 360 306 120 120 307 39 39 308 7 7 309 1 1 316 1 1 317 12 12 318 139 139 319 53 53 320 20 20 321 4 4 322 1 1 329 1 1 331 1 1 342 1 1 343 4 4 344 1 1 345 1 1 366 2 2 367 5 5 368 1 1 392 2 2 393 4 4 417 1 1 418 1 1 419 1 1 431 4 4 432 5 5 433 3 3 434 1 1 //

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