ACCESSION: MSBNK-Osaka_Univ-OUF00173
RECORD_TITLE: D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:890.7591155 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, 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
//