MassBank Record: OUF00246



 L-Glucose; GC-EI-TOF; MS; n TMS; RT:723.043 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00246
RECORD_TITLE: L-Glucose; GC-EI-TOF; MS; n TMS; RT:723.043 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: L-Glucose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H12O6 CH$EXACT_MASS: 180.06339 CH$SMILES: OCC(O)C(O)C(O)C(O)C=O CH$IUPAC: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1 CH$LINK: CAS 921-60-8 CH$LINK: CHEBI 37626 CH$LINK: CHEMSPIDER 9129332 CH$LINK: PUBCHEM 10954115 CH$LINK: INCHIKEY GZCGUPFRVQAUEE-VANKVMQKSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 1877.108 AC$CHROMATOGRAPHY: RETENTION_TIME 723.043 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-066s-0931000000-a654a96dad0048091931 PK$NUM_PEAK: 221 PK$PEAK: m/z int. rel.int. 85 20 20 86 25 25 87 25 25 88 23 23 89 255 255 90 25 25 91 14 14 92 2 2 93 1 1 94 2 2 95 2 2 96 3 3 97 12 12 98 7 7 99 22 22 100 55 55 101 79 79 102 42 42 103 455 455 104 48 48 105 106 106 106 12 12 107 5 5 108 1 1 109 1 1 110 5 5 111 11 11 112 8 8 113 19 19 114 47 47 115 32 32 116 30 30 117 341 341 118 37 37 119 34 34 120 4 4 121 2 2 124 1 1 125 3 3 126 8 8 127 16 16 128 17 17 129 382 382 130 77 77 131 104 104 132 19 19 133 234 234 134 32 32 135 21 21 136 2 2 137 1 1 138 2 2 139 2 2 140 4 4 141 9 9 142 20 20 143 54 54 144 10 10 145 26 26 146 8 8 147 999 999 148 162 162 149 105 105 150 13 13 151 7 7 152 3 3 153 1 1 154 4 4 155 5 5 156 6 6 157 272 272 158 52 52 159 22 22 160 476 476 161 89 89 162 27 27 163 32 32 164 5 5 165 3 3 166 1 1 167 1 1 168 5 5 169 11 11 170 6 6 171 4 4 172 13 13 173 16 16 174 8 8 175 17 17 176 4 4 177 15 15 178 3 3 179 2 2 180 3 3 181 2 2 182 2 2 183 1 1 184 2 2 185 3 3 186 10 10 187 4 4 188 4 4 189 93 93 190 29 29 191 54 54 192 11 11 193 6 6 194 1 1 195 1 1 196 2 2 197 1 1 198 3 3 199 1 1 200 4 4 201 24 24 202 9 9 203 16 16 204 104 104 205 514 514 206 107 107 207 57 57 208 9 9 209 3 3 210 10 10 211 2 2 212 1 1 213 1 1 214 4 4 215 11 11 216 28 28 217 317 317 218 72 72 219 33 33 220 6 6 221 23 23 222 6 6 223 3 3 224 1 1 227 1 1 228 4 4 229 73 73 230 24 24 231 33 33 232 14 14 233 18 18 234 11 11 235 3 3 236 1 1 237 1 1 240 4 4 241 1 1 242 4 4 243 7 7 244 10 10 245 6 6 246 10 10 247 5 5 248 1 1 253 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 4 4 264 1 1 265 2 2 266 1 1 268 3 3 269 7 7 270 3 3 271 1 1 274 12 12 275 4 4 276 3 3 277 14 14 278 6 6 279 3 3 286 1 1 290 1 1 291 24 24 292 9 9 293 5 5 300 6 6 301 1 1 302 2 2 303 1 1 304 2 2 305 23 23 306 10 10 307 17 17 308 4 4 309 2 2 317 1 1 318 12 12 319 393 393 320 131 131 321 65 65 322 15 15 323 4 4 330 1 1 331 1 1 332 2 2 333 2 2 343 4 4 344 3 3 345 1 1 358 1 1 364 7 7 365 3 3 366 1 1 374 3 3 375 1 1 376 2 2 377 1 1 464 1 1 466 1 1 //

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