MassBank Record: KZ000195



 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: KZ000195
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_P000139

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$CHROMATOGRAPHY: RETENTION_INDEX 1851.4 AC$CHROMATOGRAPHY: RETENTION_TIME 858.163 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: splash10-0fr2-1920000000-f53c5f0d5ad84d32679f PK$NUM_PEAK: 219 PK$PEAK: m/z int. rel.int. 82 11 11 83 49 49 84 25 25 85 21 21 86 15 15 87 27 27 88 22 22 89 385 385 90 34 34 91 18 18 92 2 2 93 1 1 94 2 2 95 2 2 96 10 10 97 16 16 98 6 6 99 19 19 100 57 57 101 91 91 102 40 40 103 782 782 104 82 82 105 91 91 106 12 12 107 4 4 108 1 1 109 2 2 110 2 2 111 12 12 112 5 5 113 19 19 114 17 17 115 27 27 116 31 31 117 331 331 118 36 36 119 43 43 120 5 5 121 3 3 122 1 1 123 1 1 124 1 1 125 2 2 126 7 7 127 13 13 128 9 9 129 361 361 130 63 63 131 112 112 132 17 17 133 266 266 134 36 36 135 21 21 136 2 2 137 1 1 138 2 2 139 1 1 140 2 2 141 7 7 142 9 9 143 42 42 144 7 7 145 13 13 146 5 5 147 999 999 148 160 160 149 99 99 150 12 12 151 6 6 152 3 3 153 2 2 154 5 5 155 4 4 156 5 5 157 196 196 158 32 32 159 20 20 160 337 337 161 67 67 162 18 18 163 28 28 164 5 5 165 3 3 166 1 1 167 1 1 168 3 3 169 14 14 170 5 5 171 3 3 172 17 17 173 12 12 174 6 6 175 15 15 176 3 3 177 19 19 178 6 6 179 3 3 180 3 3 181 1 1 182 3 3 183 2 2 184 2 2 185 2 2 186 10 10 187 6 6 188 5 5 189 83 83 190 23 23 191 34 34 192 6 6 193 4 4 194 1 1 196 3 3 197 1 1 198 1 1 199 1 1 200 3 3 201 37 37 202 9 9 203 16 16 204 88 88 205 446 446 206 92 92 207 48 48 208 7 7 209 2 2 210 3 3 211 1 1 212 1 1 214 12 12 215 6 6 216 6 6 217 216 216 218 46 46 219 22 22 220 5 5 221 16 16 222 4 4 223 2 2 224 1 1 226 1 1 228 2 2 229 52 52 230 19 19 231 18 18 232 6 6 233 22 22 234 7 7 235 16 16 236 3 3 237 2 2 238 1 1 240 2 2 241 1 1 242 4 4 243 6 6 244 5 5 245 5 5 246 6 6 247 3 3 248 1 1 249 1 1 251 1 1 252 1 1 254 1 1 256 1 1 258 1 1 259 2 2 260 1 1 261 1 1 262 2 2 263 1 1 264 1 1 265 2 2 268 7 7 269 3 3 270 2 2 273 4 4 274 5 5 275 3 3 276 1 1 277 13 13 278 5 5 279 2 2 290 1 1 291 17 17 292 5 5 293 2 2 300 2 2 301 1 1 302 3 3 303 1 1 304 2 2 305 12 12 306 6 6 307 12 12 308 3 3 309 1 1 316 1 1 317 1 1 318 23 23 319 252 252 320 79 79 321 39 39 322 8 8 323 2 2 331 1 1 332 1 1 333 1 1 337 3 3 338 1 1 342 1 1 343 1 1 344 1 1 347 1 1 365 1 1 374 1 1 376 2 2 //

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