MassBank Record: OUF00174



 D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:891.8573403 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00174
RECORD_TITLE: D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:891.8573403 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 2334.983 AC$CHROMATOGRAPHY: RETENTION_TIME 891.8573403 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0udi-0974000000-1c799c2f76758ebaed88 PK$NUM_PEAK: 157 PK$PEAK: m/z int. rel.int. 85 2 2 86 25 25 95 13 13 98 12 12 99 9 9 100 182 182 101 47 47 102 34 34 103 68 68 104 7 7 105 13 13 108 12 12 110 4 4 113 48 48 114 2 2 115 35 35 117 21 21 118 4 4 119 2 2 120 14 14 126 12 12 127 34 34 128 61 61 129 417 417 130 63 63 131 92 92 132 23 23 133 114 114 134 37 37 135 22 22 137 5 5 138 4 4 139 10 10 141 3 3 142 41 41 143 30 30 144 10 10 147 384 384 148 46 46 149 31 31 151 4 4 153 6 6 155 2 2 156 26 26 157 6 6 158 7 7 160 4 4 166 3 3 168 4 4 169 22 22 172 31 31 174 1 1 175 4 4 180 8 8 181 22 22 183 3 3 187 2 2 188 48 48 189 43 43 191 27 27 192 21 21 194 13 13 195 15 15 196 18 18 198 1 1 202 4 4 203 999 999 204 243 243 205 85 85 206 4 4 207 3 3 208 10 10 210 17 17 211 80 80 212 13 13 216 53 53 217 41 41 218 15 15 220 5 5 226 3 3 239 4 4 243 13 13 244 8 8 245 3 3 251 2 2 256 5 5 261 1 1 262 17 17 270 20 20 271 6 6 272 4 4 279 1 1 281 15 15 285 11 11 286 2 2 287 3 3 289 8 8 292 4 4 299 273 273 300 119 119 301 49 49 303 13 13 304 2 2 314 12 12 315 66 66 316 24 24 317 18 18 321 13 13 322 3 3 323 2 2 332 18 18 334 8 8 335 4 4 344 8 8 345 6 6 348 5 5 353 5 5 358 5 5 360 5 5 367 3 3 370 10 10 375 2 2 377 30 30 378 30 30 379 17 17 385 7 7 386 16 16 387 234 234 388 192 192 389 87 87 390 30 30 402 5 5 406 4 4 408 7 7 416 19 19 419 5 5 424 13 13 427 3 3 444 5 5 449 3 3 450 8 8 459 3 3 460 10 10 461 2 2 468 1 1 473 5 5 479 13 13 483 6 6 485 8 8 486 1 1 489 10 10 490 8 8 494 9 9 495 2 2 498 8 8 499 6 6 500 1 1 //