MassBank Record: OUF00173



 D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:890.7591155 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00173
RECORD_TITLE: D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:890.7591155 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 2331.675 AC$CHROMATOGRAPHY: RETENTION_TIME 890.7591155 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-052s-0946000000-ee62035988ab7ca50344 PK$NUM_PEAK: 177 PK$PEAK: m/z int. rel.int. 85 41 41 86 15 15 87 1 1 89 154 154 90 27 27 93 7 7 98 11 11 99 6 6 100 76 76 101 181 181 102 58 58 103 116 116 105 11 11 106 27 27 107 6 6 109 15 15 110 1 1 112 4 4 113 66 66 115 54 54 116 71 71 117 7 7 118 12 12 120 6 6 122 12 12 126 1 1 128 36 36 129 251 251 130 36 36 131 73 73 132 23 23 133 242 242 134 9 9 135 70 70 141 50 50 142 23 23 143 3 3 144 43 43 146 19 19 147 618 618 148 39 39 149 39 39 150 12 12 151 1 1 152 3 3 153 6 6 157 66 66 158 9 9 159 999 999 160 73 73 161 41 41 164 12 12 168 41 41 169 23 23 171 109 109 172 6 6 177 7 7 184 12 12 187 20 20 188 28 28 189 33 33 190 9 9 191 43 43 192 22 22 193 27 27 194 28 28 195 114 114 196 46 46 197 30 30 198 20 20 204 207 207 205 63 63 206 27 27 207 57 57 211 143 143 212 14 14 216 38 38 217 337 337 218 70 70 219 31 31 220 25 25 221 7 7 225 7 7 227 50 50 228 22 22 237 1 1 240 15 15 241 7 7 242 33 33 243 4 4 244 19 19 248 4 4 250 6 6 253 23 23 256 4 4 258 22 22 263 17 17 264 7 7 266 9 9 267 6 6 268 17 17 270 14 14 274 43 43 277 1 1 280 9 9 285 87 87 286 19 19 288 31 31 289 14 14 290 17 17 298 17 17 299 492 492 300 325 325 301 111 111 302 41 41 307 14 14 310 4 4 314 23 23 315 140 140 316 94 94 317 58 58 319 27 27 320 7 7 325 11 11 326 4 4 330 9 9 332 6 6 339 41 41 342 9 9 345 1 1 346 6 6 347 4 4 351 7 7 355 6 6 357 71 71 358 65 65 360 14 14 368 17 17 373 28 28 375 35 35 376 41 41 377 9 9 381 6 6 386 119 119 387 642 642 388 511 511 389 202 202 390 55 55 392 49 49 393 3 3 397 4 4 400 6 6 404 7 7 405 9 9 406 23 23 413 4 4 415 19 19 416 39 39 419 4 4 423 7 7 430 4 4 439 11 11 449 11 11 461 19 19 463 17 17 464 11 11 466 7 7 470 20 20 471 20 20 472 47 47 475 20 20 482 3 3 484 22 22 489 19 19 496 22 22 497 9 9 498 7 7 //