MassBank Record: OUF00175



 D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:895.1520147 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00175
RECORD_TITLE: D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:895.1520147 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 2344.907 AC$CHROMATOGRAPHY: RETENTION_TIME 895.1520147 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-052s-0955000000-27482faf2d4892673678 PK$NUM_PEAK: 233 PK$PEAK: m/z int. rel.int. 85 1 1 86 47 47 87 56 56 88 47 47 89 219 219 90 23 23 91 34 34 93 18 18 95 25 25 96 23 23 98 34 34 99 12 12 100 219 219 101 320 320 102 109 109 103 128 128 104 5 5 105 124 124 106 14 14 108 40 40 112 12 12 113 71 71 115 40 40 116 111 111 117 36 36 118 14 14 119 36 36 126 25 25 127 14 14 128 96 96 129 314 314 130 84 84 131 67 67 132 27 27 133 367 367 134 53 53 135 64 64 137 31 31 138 1 1 141 21 21 142 53 53 143 60 60 144 128 128 145 3 3 147 715 715 148 89 89 149 84 84 150 16 16 151 31 31 152 12 12 153 1 1 154 1 1 155 10 10 157 106 106 158 29 29 159 999 999 160 75 75 161 34 34 162 12 12 163 3 3 165 18 18 166 14 14 167 7 7 168 124 124 169 10 10 170 29 29 171 115 115 172 62 62 173 10 10 174 58 58 177 16 16 183 31 31 184 9 9 188 36 36 189 78 78 190 27 27 191 69 69 192 12 12 193 67 67 194 29 29 195 225 225 196 23 23 197 25 25 201 31 31 203 53 53 204 274 274 205 100 100 206 27 27 207 104 104 208 38 38 211 214 214 212 38 38 213 20 20 214 45 45 215 1 1 216 85 85 217 440 440 218 95 95 219 20 20 221 42 42 225 64 64 226 12 12 227 91 91 228 23 23 229 29 29 230 51 51 231 31 31 232 3 3 234 9 9 235 31 31 237 27 27 240 56 56 241 31 31 242 1 1 244 14 14 245 18 18 246 42 42 247 1 1 254 58 58 256 14 14 257 21 21 258 58 58 261 20 20 267 7 7 269 3 3 276 1 1 279 12 12 280 14 14 281 34 34 283 3 3 284 27 27 285 85 85 286 87 87 287 51 51 289 7 7 290 23 23 291 3 3 292 10 10 293 16 16 295 12 12 296 1 1 297 14 14 299 620 620 300 322 322 301 84 84 302 23 23 303 25 25 304 12 12 308 5 5 311 3 3 314 18 18 315 245 245 316 146 146 317 58 58 319 21 21 320 10 10 324 10 10 331 29 29 332 16 16 333 12 12 334 1 1 336 1 1 338 9 9 342 16 16 343 3 3 344 43 43 345 3 3 347 31 31 348 1 1 353 1 1 354 21 21 357 111 111 358 78 78 359 25 25 360 7 7 363 16 16 364 10 10 373 23 23 374 45 45 375 45 45 376 62 62 379 21 21 380 12 12 382 16 16 386 100 100 387 799 799 388 676 676 389 237 237 390 104 104 391 36 36 392 25 25 394 5 5 395 12 12 397 25 25 400 3 3 401 12 12 403 21 21 404 60 60 407 12 12 408 10 10 409 5 5 410 12 12 411 1 1 420 14 14 423 9 9 424 3 3 428 1 1 432 14 14 433 32 32 436 21 21 437 21 21 438 7 7 440 27 27 443 9 9 449 3 3 455 14 14 459 3 3 460 21 21 463 3 3 464 3 3 468 12 12 471 23 23 472 23 23 474 23 23 475 14 14 478 12 12 479 12 12 484 23 23 489 16 16 492 40 40 494 12 12 495 1 1 498 25 25 //