ACCESSION: MSBNK-Osaka_Univ-OUF00175
RECORD_TITLE: D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:895.1520147 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$CHROMATOGRAPHY: RETENTION_INDEX 2344.907
AC$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
//