MassBank Record: PR010016



 Myo-Inositol; GC-EI-TOF; MS; 6 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010016
RECORD_TITLE: Myo-Inositol; GC-EI-TOF; MS; 6 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$NAME: Myo-Inositol CH$NAME: Bios I CH$NAME: meso-Inositol CH$NAME: Cyclohexitol CH$NAME: L-myo-Inositol CH$NAME: Dambose CH$NAME: Meat sugar CH$NAME: 1D-myo-Inositol CH$NAME: D-myo-Inositol CH$NAME: 1L-myo-Inositol CH$NAME: Inositol CH$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: CHEBI 17268 CH$LINK: CHEMPDB INS CH$LINK: KEGG C00137 CH$LINK: NIKKAJI J4.282J CH$LINK: PUBCHEM 3437
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$CHROMATOGRAPHY: RETENTION_INDEX 2083.6 AC$CHROMATOGRAPHY: RETENTION_TIME 499.327 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C24H60O6Si6 MS$FOCUSED_ION: DERIVATIVE_MASS 612.30055 MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-8942000000-f5d7abd38d6ff547a0a9 PK$NUM_PEAK: 155 PK$PEAK: m/z int. rel.int. 60 2 2 61 3 3 65 1 1 66 5 5 67 4 4 69 2 2 70 2 2 71 2 2 72 12 12 73 999 999 74 87 87 75 46 46 76 3 3 77 7 7 81 10 10 82 1 1 83 5 5 84 1 1 85 4 4 87 4 4 88 1 1 89 2 2 97 1 1 99 4 4 101 9 9 102 4 4 103 105 105 104 10 10 105 6 6 109 2 2 111 5 5 113 5 5 114 1 1 115 5 5 116 6 6 117 11 11 118 1 1 119 6 6 125 1 1 127 5 5 128 1 1 129 118 118 130 13 13 131 38 38 132 5 5 133 91 91 134 13 13 135 8 8 139 1 1 141 2 2 142 2 2 143 25 25 144 3 3 145 4 4 146 1 1 147 362 362 148 56 56 149 33 33 150 3 3 151 2 2 153 1 1 155 2 2 156 1 1 157 7 7 158 1 1 159 2 2 161 8 8 162 1 1 163 2 2 169 2 2 173 1 1 175 4 4 177 9 9 178 1 1 179 1 1 181 1 1 185 1 1 189 12 12 190 9 9 191 185 185 192 32 32 193 16 16 194 2 2 201 1 1 203 5 5 204 56 56 205 15 15 206 6 6 207 9 9 208 2 2 209 1 1 215 3 3 216 1 1 217 256 256 218 52 52 219 22 22 220 3 3 221 23 23 222 6 6 223 3 3 229 1 1 230 4 4 231 3 3 232 1 1 235 1 1 239 1 1 243 6 6 244 1 1 245 2 2 255 1 1 265 54 54 266 14 14 267 7 7 268 1 1 271 1 1 291 11 11 292 3 3 293 5 5 294 1 1 304 3 3 305 127 127 306 39 39 307 20 20 308 4 4 309 1 1 317 4 4 318 80 80 319 34 34 320 14 14 321 4 4 331 1 1 343 3 3 344 1 1 345 1 1 367 11 11 368 4 4 369 2 2 392 1 1 393 7 7 394 2 2 395 1 1 417 1 1 419 3 3 420 1 1 431 2 2 432 23 23 433 18 18 434 8 8 435 3 3 436 1 1 507 6 6 508 3 3 509 2 2 612 1 1 613 1 1 //