ACCESSION: MSBNK-Osaka_Univ-OUF00170
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:741.056 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$NAME: D-Glucosamine
CH$NAME: D-(+)-Glucosamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₃NO₅
CH$EXACT_MASS: 179.07937
CH$SMILES: OCC(O1)C(O)C(O)C(N)C(O)1
CH$IUPAC: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
CH$LINK: CAS 3416-24-8
CH$LINK: CHEMSPIDER 17216133
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N
CH$LINK: COMPTOX DTXSID4023098

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$CHROMATOGRAPHY: RETENTION_INDEX 1921.579
AC$CHROMATOGRAPHY: RETENTION_TIME 741.056 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0a4i-0920000000-285efea59e96086f68a9
PK$NUM_PEAK: 214
PK$PEAK: m/z int. rel.int.
  85 15 15
  86 38 38
  87 33 33
  88 17 17
  89 176 176
  90 18 18
  91 8 8
  92 1 1
  93 3 3
  94 2 2
  95 2 2
  96 6 6
  97 6 6
  98 10 10
  99 23 23
  100 80 80
  101 81 81
  102 46 46
  103 280 280
  104 30 30
  105 30 30
  106 5 5
  107 1 1
  108 1 1
  109 1 1
  110 5 5
  111 9 9
  112 8 8
  113 49 49
  114 14 14
  115 19 19
  116 25 25
  117 229 229
  118 30 30
  119 21 21
  120 3 3
  121 1 1
  123 1 1
  124 1 1
  125 4 4
  126 8 8
  127 24 24
  128 46 46
  129 309 309
  130 59 59
  131 79 79
  132 24 24
  133 113 113
  134 18 18
  135 10 10
  136 2 2
  137 6 6
  138 1 1
  139 2 2
  140 6 6
  141 28 28
  142 25 25
  143 38 38
  144 43 43
  145 13 13
  146 13 13
  147 616 616
  148 103 103
  149 61 61
  150 8 8
  151 4 4
  152 4 4
  153 6 6
  154 5 5
  155 4 4
  156 6 6
  157 169 169
  158 31 31
  159 999 999
  160 133 133
  161 46 46
  162 7 7
  163 13 13
  164 3 3
  165 3 3
  166 1 1
  167 2 2
  168 20 20
  169 8 8
  170 5 5
  171 9 9
  172 12 12
  173 10 10
  174 4 4
  175 9 9
  176 3 3
  177 5 5
  178 2 2
  179 3 3
  180 1 1
  181 2 2
  182 2 2
  183 2 2
  184 1 1
  185 6 6
  186 5 5
  187 4 4
  188 9 9
  189 36 36
  190 17 17
  191 16 16
  192 4 4
  193 2 2
  195 5 5
  196 1 1
  197 1 1
  198 2 2
  199 4 4
  200 9 9
  201 34 34
  202 14 14
  203 28 28
  204 63 63
  205 367 367
  206 74 74
  207 36 36
  208 6 6
  209 3 3
  211 1 1
  212 1 1
  213 5 5
  214 9 9
  215 14 14
  216 29 29
  217 121 121
  218 27 27
  219 13 13
  220 3 3
  221 9 9
  222 2 2
  223 1 1
  226 1 1
  227 9 9
  228 5 5
  229 55 55
  230 18 18
  231 16 16
  232 29 29
  233 10 10
  234 5 5
  235 1 1
  239 2 2
  240 7 7
  241 5 5
  242 7 7
  243 9 9
  244 9 9
  245 3 3
  246 2 2
  247 1 1
  253 1 1
  255 2 2
  256 1 1
  257 1 1
  258 5 5
  259 2 2
  260 2 2
  261 7 7
  262 2 2
  267 4 4
  268 3 3
  269 2 2
  273 21 21
  274 7 7
  275 3 3
  276 1 1
  277 7 7
  278 4 4
  279 1 1
  285 2 2
  288 1 1
  289 1 1
  290 4 4
  291 14 14
  292 4 4
  293 2 2
  301 1 1
  302 1 1
  303 7 7
  304 14 14
  305 12 12
  306 7 7
  307 7 7
  308 2 2
  309 1 1
  316 3 3
  317 2 2
  318 8 8
  319 209 209
  320 73 73
  321 33 33
  322 9 9
  323 2 2
  330 2 2
  332 3 3
  333 2 2
  334 1 1
  335 1 1
  357 2 2
  358 1 1
  359 1 1
  375 1 1
  420 1 1
  422 1 1
  447 4 4
  448 2 2
  449 1 1
  450 1 1
  463 1 1
//