MassBank Record: OUF00156



 D-(+)-Allose; GC-EI-TOF; MS; n TMS; RT:715.294 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00156
RECORD_TITLE: D-(+)-Allose; GC-EI-TOF; MS; n TMS; RT:715.294 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$NAME: D-(+)-Allose CH$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$LINK: CAS 2595-97-3 CH$LINK: CHEMSPIDER 23139 CH$LINK: KEGG C01662 CH$LINK: PUBCHEM 24749 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-IVMDWMLBSA-N
AC$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 1858.436 AC$CHROMATOGRAPHY: RETENTION_TIME 715.294 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-066s-0931000000-f283886e60a0fc2d142c PK$NUM_PEAK: 221 PK$PEAK: m/z int. rel.int. 85 19 19 86 24 24 87 24 24 88 23 23 89 256 256 90 26 26 91 12 12 92 2 2 93 1 1 94 2 2 95 2 2 96 3 3 97 13 13 98 7 7 99 20 20 100 51 51 101 77 77 102 40 40 103 399 399 104 42 42 105 99 99 106 11 11 107 5 5 108 1 1 109 1 1 110 5 5 111 10 10 112 8 8 113 17 17 114 47 47 115 30 30 116 29 29 117 356 356 118 38 38 119 35 35 120 3 3 121 2 2 124 1 1 125 2 2 126 7 7 127 15 15 128 16 16 129 422 422 130 74 74 131 102 102 132 18 18 133 230 230 134 32 32 135 21 21 136 2 2 137 1 1 138 2 2 139 2 2 140 4 4 141 9 9 142 17 17 143 52 52 144 10 10 145 30 30 146 8 8 147 999 999 148 160 160 149 105 105 150 13 13 151 7 7 152 3 3 153 2 2 154 4 4 155 6 6 156 6 6 157 311 311 158 53 53 159 25 25 160 321 321 161 55 55 162 18 18 163 31 31 164 5 5 165 3 3 166 1 1 167 1 1 168 5 5 169 10 10 170 6 6 171 4 4 172 10 10 173 15 15 174 7 7 175 17 17 176 4 4 177 11 11 178 3 3 179 2 2 180 2 2 181 2 2 182 3 3 183 1 1 184 2 2 185 2 2 186 10 10 187 5 5 188 4 4 189 109 109 190 32 32 191 50 50 192 11 11 193 5 5 194 1 1 195 1 1 196 2 2 198 2 2 199 1 1 200 5 5 201 23 23 202 9 9 203 16 16 204 112 112 205 594 594 206 122 122 207 62 62 208 10 10 209 3 3 210 7 7 211 2 2 212 1 1 213 1 1 214 5 5 215 11 11 216 28 28 217 260 260 218 58 58 219 26 26 220 5 5 221 18 18 222 5 5 223 3 3 224 1 1 226 1 1 227 1 1 228 6 6 229 89 89 230 27 27 231 35 35 232 13 13 233 19 19 234 15 15 235 5 5 236 1 1 237 1 1 238 1 1 239 1 1 240 3 3 241 2 2 242 2 2 243 8 8 244 8 8 245 7 7 246 11 11 247 6 6 248 2 2 249 1 1 254 1 1 255 1 1 256 3 3 257 1 1 258 1 1 259 3 3 260 2 2 261 1 1 262 11 11 263 3 3 264 1 1 265 2 2 266 1 1 268 2 2 269 3 3 270 2 2 271 1 1 272 1 1 274 9 9 275 3 3 276 1 1 277 12 12 278 6 6 279 3 3 281 1 1 284 1 1 290 1 1 291 18 18 292 6 6 293 3 3 300 4 4 301 1 1 302 1 1 304 2 2 305 21 21 306 9 9 307 14 14 308 4 4 309 1 1 317 1 1 318 14 14 319 495 495 320 159 159 321 76 76 322 18 18 323 4 4 330 1 1 331 2 2 332 1 1 333 2 2 343 3 3 344 4 4 345 2 2 346 1 1 358 1 1 374 3 3 375 1 1 376 4 4 377 2 2 464 1 1 //