MassBank Record: KZ000194



 D-(+)-Glucose; GC-EI-TOF; MS; 5 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000194
RECORD_TITLE: D-(+)-Glucose; GC-EI-TOF; MS; 5 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_01707_P000138

CH$NAME: D-(+)-Glucose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H12O6 CH$EXACT_MASS: 180.06339 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(O)1 CH$IUPAC: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: CAS 50-99-7 CH$LINK: KEGG C00031 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1834.9 AC$CHROMATOGRAPHY: RETENTION_TIME 851.163 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kb-1931000000-ec21c3af97621f7bf95a PK$NUM_PEAK: 229 PK$PEAK: m/z int. rel.int. 82 18 18 83 44 44 84 29 29 85 21 21 86 25 25 87 28 28 88 20 20 89 290 290 90 27 27 91 14 14 92 2 2 93 2 2 94 2 2 95 2 2 96 3 3 97 9 9 98 7 7 99 22 22 100 48 48 101 90 90 102 42 42 103 491 491 104 51 51 105 117 117 106 13 13 107 5 5 108 1 1 109 1 1 110 3 3 111 12 12 112 8 8 113 20 20 114 46 46 115 37 37 116 33 33 117 336 336 118 37 37 119 35 35 120 4 4 121 2 2 122 1 1 124 1 1 125 3 3 126 8 8 127 15 15 128 16 16 129 369 369 130 71 71 131 110 110 132 19 19 133 225 225 134 31 31 135 18 18 136 2 2 137 1 1 138 2 2 139 2 2 140 3 3 141 8 8 142 17 17 143 47 47 144 9 9 145 22 22 146 6 6 147 999 999 148 165 165 149 102 102 150 12 12 151 6 6 152 3 3 153 2 2 154 4 4 155 5 5 156 5 5 157 210 210 158 41 41 159 18 18 160 458 458 161 78 78 162 23 23 163 29 29 164 5 5 165 3 3 166 1 1 167 1 1 168 5 5 169 9 9 170 5 5 171 3 3 172 24 24 173 16 16 174 8 8 175 16 16 176 4 4 177 13 13 178 3 3 179 2 2 180 3 3 181 1 1 182 2 2 183 1 1 184 1 1 185 2 2 186 9 9 187 4 4 188 3 3 189 92 92 190 26 26 191 42 42 192 8 8 193 4 4 194 1 1 195 1 1 196 2 2 197 1 1 198 2 2 199 1 1 200 4 4 201 53 53 202 13 13 203 19 19 204 114 114 205 494 494 206 101 101 207 53 53 208 8 8 209 2 2 210 8 8 211 1 1 212 1 1 213 1 1 214 4 4 215 9 9 216 25 25 217 282 282 218 62 62 219 28 28 220 5 5 221 20 20 222 5 5 223 3 3 224 1 1 226 1 1 227 1 1 228 4 4 229 63 63 230 23 23 231 36 36 232 13 13 233 13 13 234 9 9 235 2 2 236 1 1 237 1 1 240 3 3 241 2 2 242 4 4 243 7 7 244 9 9 245 5 5 246 10 10 247 4 4 248 2 2 249 1 1 254 1 1 255 1 1 256 4 4 257 1 1 258 1 1 259 3 3 260 2 2 261 1 1 262 12 12 263 3 3 264 1 1 265 2 2 268 5 5 269 7 7 270 4 4 271 1 1 272 1 1 274 12 12 275 3 3 276 3 3 277 14 14 278 6 6 279 2 2 290 2 2 291 22 22 292 7 7 293 3 3 294 1 1 300 4 4 301 1 1 302 4 4 303 1 1 304 3 3 305 18 18 306 7 7 307 14 14 308 4 4 309 1 1 315 1 1 316 1 1 317 1 1 318 12 12 319 313 313 320 96 96 321 46 46 322 9 9 323 2 2 330 1 1 331 1 1 332 3 3 333 2 2 334 1 1 342 1 1 343 4 4 344 5 5 345 2 2 346 1 1 358 1 1 364 7 7 365 3 3 366 1 1 374 3 3 375 1 1 376 2 2 466 1 1 //

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