MassBank Record: OUF00176



 D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:901.5916055 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00176
RECORD_TITLE: D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:901.5916055 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$NAME: D-Glucosamine-6-Phosphate CH$NAME: D-Glucosamine 6-phosphate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H14NO8P CH$EXACT_MASS: 259.04570 CH$SMILES: OC(O1)[C@H](N)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1 CH$LINK: CAS 3616-42-0 CH$LINK: CHEMSPIDER 589 CH$LINK: PUBCHEM 609 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N
AC$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 2364.303 AC$CHROMATOGRAPHY: RETENTION_TIME 901.5916055 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0udi-0974000000-807adda5acf92df136af PK$NUM_PEAK: 304 PK$PEAK: m/z int. rel.int. 85 27 27 86 10 10 87 19 19 88 8 8 89 30 30 90 4 4 91 5 5 93 1 1 94 1 1 96 7 7 98 19 19 99 29 29 100 224 224 101 59 59 102 37 37 103 114 114 105 17 17 107 7 7 108 28 28 109 11 11 110 16 16 111 19 19 112 24 24 113 43 43 114 2 2 115 64 64 116 37 37 117 35 35 118 4 4 119 22 22 121 8 8 122 2 2 123 5 5 124 6 6 125 11 11 126 18 18 127 39 39 128 87 87 129 461 461 130 95 95 131 102 102 132 31 31 133 194 194 134 20 20 135 40 40 136 16 16 137 11 11 138 13 13 139 16 16 140 14 14 141 14 14 142 35 35 143 31 31 144 30 30 145 5 5 146 20 20 147 512 512 148 75 75 149 50 50 150 9 9 151 19 19 152 27 27 153 5 5 154 17 17 155 18 18 156 33 33 157 21 21 158 18 18 159 15 15 161 3 3 162 23 23 164 6 6 165 6 6 166 8 8 167 12 12 168 29 29 169 12 12 170 12 12 172 45 45 173 16 16 174 4 4 175 17 17 176 3 3 178 2 2 179 1 1 180 48 48 181 21 21 182 22 22 183 6 6 184 10 10 185 2 2 186 3 3 187 11 11 188 51 51 189 50 50 190 29 29 191 45 45 192 17 17 193 33 33 194 13 13 195 11 11 197 15 15 198 13 13 199 9 9 200 27 27 201 12 12 202 12 12 203 999 999 204 247 247 205 91 91 206 19 19 207 43 43 208 7 7 209 10 10 210 5 5 211 158 158 212 39 39 213 18 18 214 16 16 215 16 16 216 75 75 217 33 33 218 45 45 219 23 23 220 14 14 221 3 3 222 7 7 224 5 5 225 36 36 226 15 15 227 53 53 228 18 18 229 3 3 230 13 13 231 28 28 232 16 16 233 18 18 234 5 5 235 7 7 237 12 12 238 7 7 239 6 6 240 40 40 241 17 17 242 22 22 243 21 21 244 21 21 245 3 3 246 9 9 250 4 4 251 5 5 252 10 10 253 11 11 254 27 27 255 14 14 256 14 14 258 4 4 259 20 20 260 17 17 262 3 3 263 2 2 266 3 3 268 16 16 269 43 43 270 57 57 271 31 31 272 43 43 273 18 18 274 14 14 275 7 7 276 9 9 277 5 5 278 5 5 282 2 2 283 17 17 284 10 10 285 23 23 286 11 11 288 7 7 289 4 4 290 4 4 291 1 1 292 3 3 294 6 6 295 2 2 296 10 10 297 8 8 298 16 16 299 283 283 300 160 160 301 61 61 302 9 9 303 15 15 304 58 58 305 37 37 306 16 16 307 10 10 308 6 6 309 1 1 310 3 3 311 4 4 313 2 2 314 15 15 315 151 151 316 92 92 317 51 51 318 8 8 319 8 8 320 12 12 322 9 9 324 5 5 325 9 9 327 4 4 329 8 8 334 5 5 335 19 19 336 6 6 338 3 3 339 9 9 343 1 1 344 10 10 345 10 10 346 3 3 349 4 4 352 2 2 353 16 16 356 1 1 357 7 7 358 14 14 360 5 5 361 7 7 362 6 6 363 9 9 364 4 4 369 2 2 370 4 4 371 7 7 372 15 15 373 4 4 374 14 14 375 1 1 377 41 41 378 48 48 379 24 24 380 6 6 381 2 2 382 16 16 384 12 12 385 8 8 386 52 52 387 326 326 388 272 272 389 116 116 390 47 47 391 16 16 394 7 7 396 3 3 397 1 1 400 7 7 402 4 4 403 3 3 404 11 11 406 1 1 408 5 5 409 10 10 411 3 3 414 2 2 415 8 8 417 7 7 418 2 2 424 5 5 427 5 5 428 2 2 430 7 7 441 2 2 447 2 2 448 13 13 453 1 1 454 1 1 455 2 2 462 1 1 465 3 3 466 2 2 467 6 6 472 7 7 473 7 7 474 1 1 475 3 3 478 10 10 481 3 3 483 1 1 484 6 6 485 5 5 487 4 4 489 6 6 490 3 3 492 6 6 494 1 1 495 5 5 496 11 11 497 5 5 498 10 10 499 2 2 500 15 15 //