ACCESSION: MSBNK-Osaka_Univ-OUF00174
RECORD_TITLE: D-Glucosamine 6-phosphate; GC-EI-TOF; MS; n TMS; RT:891.8573403 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$CHROMATOGRAPHY: RETENTION_INDEX 2334.983
AC$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
//