ACCESSION: MSBNK-Osaka_Univ-OUF00176
RECORD_TITLE: D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:901.5916055 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$CHROMATOGRAPHY: RETENTION_INDEX 2364.303
AC$CHROMATOGRAPHY: RETENTION_TIME 901.5916055 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0udi-0974000000-807adda5acf92df136af
PK$NUM_PEAK: 304
PK$PEAK: m/z int. rel.int.
  85 27 27
  86 10 10
  87 19 19
  88 8 8
  89 30 30
  90 4 4
  91 5 5
  93 1 1
  94 1 1
  96 7 7
  98 19 19
  99 29 29
  100 224 224
  101 59 59
  102 37 37
  103 114 114
  105 17 17
  107 7 7
  108 28 28
  109 11 11
  110 16 16
  111 19 19
  112 24 24
  113 43 43
  114 2 2
  115 64 64
  116 37 37
  117 35 35
  118 4 4
  119 22 22
  121 8 8
  122 2 2
  123 5 5
  124 6 6
  125 11 11
  126 18 18
  127 39 39
  128 87 87
  129 461 461
  130 95 95
  131 102 102
  132 31 31
  133 194 194
  134 20 20
  135 40 40
  136 16 16
  137 11 11
  138 13 13
  139 16 16
  140 14 14
  141 14 14
  142 35 35
  143 31 31
  144 30 30
  145 5 5
  146 20 20
  147 512 512
  148 75 75
  149 50 50
  150 9 9
  151 19 19
  152 27 27
  153 5 5
  154 17 17
  155 18 18
  156 33 33
  157 21 21
  158 18 18
  159 15 15
  161 3 3
  162 23 23
  164 6 6
  165 6 6
  166 8 8
  167 12 12
  168 29 29
  169 12 12
  170 12 12
  172 45 45
  173 16 16
  174 4 4
  175 17 17
  176 3 3
  178 2 2
  179 1 1
  180 48 48
  181 21 21
  182 22 22
  183 6 6
  184 10 10
  185 2 2
  186 3 3
  187 11 11
  188 51 51
  189 50 50
  190 29 29
  191 45 45
  192 17 17
  193 33 33
  194 13 13
  195 11 11
  197 15 15
  198 13 13
  199 9 9
  200 27 27
  201 12 12
  202 12 12
  203 999 999
  204 247 247
  205 91 91
  206 19 19
  207 43 43
  208 7 7
  209 10 10
  210 5 5
  211 158 158
  212 39 39
  213 18 18
  214 16 16
  215 16 16
  216 75 75
  217 33 33
  218 45 45
  219 23 23
  220 14 14
  221 3 3
  222 7 7
  224 5 5
  225 36 36
  226 15 15
  227 53 53
  228 18 18
  229 3 3
  230 13 13
  231 28 28
  232 16 16
  233 18 18
  234 5 5
  235 7 7
  237 12 12
  238 7 7
  239 6 6
  240 40 40
  241 17 17
  242 22 22
  243 21 21
  244 21 21
  245 3 3
  246 9 9
  250 4 4
  251 5 5
  252 10 10
  253 11 11
  254 27 27
  255 14 14
  256 14 14
  258 4 4
  259 20 20
  260 17 17
  262 3 3
  263 2 2
  266 3 3
  268 16 16
  269 43 43
  270 57 57
  271 31 31
  272 43 43
  273 18 18
  274 14 14
  275 7 7
  276 9 9
  277 5 5
  278 5 5
  282 2 2
  283 17 17
  284 10 10
  285 23 23
  286 11 11
  288 7 7
  289 4 4
  290 4 4
  291 1 1
  292 3 3
  294 6 6
  295 2 2
  296 10 10
  297 8 8
  298 16 16
  299 283 283
  300 160 160
  301 61 61
  302 9 9
  303 15 15
  304 58 58
  305 37 37
  306 16 16
  307 10 10
  308 6 6
  309 1 1
  310 3 3
  311 4 4
  313 2 2
  314 15 15
  315 151 151
  316 92 92
  317 51 51
  318 8 8
  319 8 8
  320 12 12
  322 9 9
  324 5 5
  325 9 9
  327 4 4
  329 8 8
  334 5 5
  335 19 19
  336 6 6
  338 3 3
  339 9 9
  343 1 1
  344 10 10
  345 10 10
  346 3 3
  349 4 4
  352 2 2
  353 16 16
  356 1 1
  357 7 7
  358 14 14
  360 5 5
  361 7 7
  362 6 6
  363 9 9
  364 4 4
  369 2 2
  370 4 4
  371 7 7
  372 15 15
  373 4 4
  374 14 14
  375 1 1
  377 41 41
  378 48 48
  379 24 24
  380 6 6
  381 2 2
  382 16 16
  384 12 12
  385 8 8
  386 52 52
  387 326 326
  388 272 272
  389 116 116
  390 47 47
  391 16 16
  394 7 7
  396 3 3
  397 1 1
  400 7 7
  402 4 4
  403 3 3
  404 11 11
  406 1 1
  408 5 5
  409 10 10
  411 3 3
  414 2 2
  415 8 8
  417 7 7
  418 2 2
  424 5 5
  427 5 5
  428 2 2
  430 7 7
  441 2 2
  447 2 2
  448 13 13
  453 1 1
  454 1 1
  455 2 2
  462 1 1
  465 3 3
  466 2 2
  467 6 6
  472 7 7
  473 7 7
  474 1 1
  475 3 3
  478 10 10
  481 3 3
  483 1 1
  484 6 6
  485 5 5
  487 4 4
  489 6 6
  490 3 3
  492 6 6
  494 1 1
  495 5 5
  496 11 11
  497 5 5
  498 10 10
  499 2 2
  500 15 15
//