ACCESSION: MSBNK-Osaka_Univ-OUF00172
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:743.655 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$CHROMATOGRAPHY: RETENTION_INDEX 1928.167
AC$CHROMATOGRAPHY: RETENTION_TIME 743.655 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0udi-0890000000-d07dc76ed5b2a3a1fa73
PK$NUM_PEAK: 154
PK$PEAK: m/z int. rel.int.
  85 9 9
  86 9 9
  87 10 10
  88 5 5
  89 23 23
  90 5 5
  91 1 1
  94 2 2
  95 1 1
  96 2 2
  97 3 3
  98 6 6
  99 10 10
  100 110 110
  101 35 35
  102 29 29
  103 108 108
  104 13 13
  105 7 7
  106 1 1
  108 6 6
  109 1 1
  110 2 2
  111 5 5
  112 5 5
  113 11 11
  114 10 10
  115 33 33
  116 24 24
  117 75 75
  118 12 12
  119 12 12
  120 1 1
  124 1 1
  125 1 1
  126 5 5
  127 6 6
  128 35 35
  129 60 60
  130 29 29
  131 170 170
  132 33 33
  133 68 68
  134 12 12
  135 7 7
  136 1 1
  138 1 1
  140 5 5
  141 3 3
  142 20 20
  143 16 16
  144 19 19
  145 11 11
  146 15 15
  147 248 248
  148 43 43
  149 28 28
  150 4 4
  151 2 2
  152 9 9
  153 2 2
  154 4 4
  155 2 2
  156 9 9
  157 5 5
  158 7 7
  159 3 3
  160 2 2
  161 2 2
  162 10 10
  163 5 5
  164 1 1
  168 7 7
  169 6 6
  170 4 4
  171 3 3
  172 13 13
  173 7 7
  174 7 7
  175 4 4
  176 3 3
  177 5 5
  178 1 1
  180 4 4
  181 1 1
  182 2 2
  184 1 1
  186 1 1
  187 3 3
  188 22 22
  189 25 25
  190 12 12
  191 24 24
  192 5 5
  193 3 3
  196 1 1
  197 1 1
  198 2 2
  199 1 1
  200 5 5
  201 3 3
  202 12 12
  203 999 999
  204 231 231
  205 93 93
  206 15 15
  207 5 5
  214 6 6
  215 4 4
  216 113 113
  217 129 129
  218 49 49
  219 17 17
  220 5 5
  221 5 5
  222 1 1
  226 1 1
  228 4 4
  229 3 3
  230 4 4
  231 9 9
  232 2 2
  233 3 3
  240 4 4
  241 1 1
  242 3 3
  243 3 3
  244 1 1
  245 2 2
  246 1 1
  254 2 2
  256 1 1
  258 1 1
  259 1 1
  270 1 1
  272 1 1
  290 5 5
  291 5 5
  292 1 1
  302 1 1
  303 2 2
  304 35 35
  305 14 14
  306 6 6
  307 1 1
  316 1 1
  331 5 5
  332 1 1
  344 2 2
  345 1 1
  346 1 1
  434 4 4
  435 2 2
  436 1 1
//