ACCESSION: MSBNK-Osaka_Univ-OUF00171
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:731.959 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$CHROMATOGRAPHY: RETENTION_INDEX 1898.593
AC$CHROMATOGRAPHY: RETENTION_TIME 731.959 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0udi-0890000000-ad3197a0f8e9df6ace0b
PK$NUM_PEAK: 162
PK$PEAK: m/z int. rel.int.
  85 10 10
  86 11 11
  87 11 11
  88 5 5
  89 34 34
  90 5 5
  91 2 2
  94 3 3
  95 1 1
  96 3 3
  97 3 3
  98 6 6
  99 10 10
  100 104 104
  101 39 39
  102 32 32
  103 112 112
  104 13 13
  105 9 9
  106 1 1
  108 6 6
  109 1 1
  110 3 3
  111 5 5
  112 6 6
  113 12 12
  114 9 9
  115 35 35
  116 26 26
  117 110 110
  118 15 15
  119 15 15
  120 2 2
  124 1 1
  125 2 2
  126 6 6
  127 8 8
  128 40 40
  129 62 62
  130 34 34
  131 153 153
  132 32 32
  133 74 74
  134 12 12
  135 7 7
  136 1 1
  139 1 1
  140 6 6
  141 4 4
  142 23 23
  143 17 17
  144 19 19
  145 11 11
  146 16 16
  147 267 267
  148 46 46
  149 31 31
  150 4 4
  151 2 2
  152 14 14
  153 2 2
  154 5 5
  155 4 4
  156 15 15
  157 9 9
  158 7 7
  159 5 5
  160 3 3
  161 2 2
  162 9 9
  163 6 6
  164 2 2
  165 1 1
  166 1 1
  168 7 7
  169 4 4
  170 5 5
  171 2 2
  172 16 16
  173 8 8
  174 7 7
  175 5 5
  176 2 2
  177 8 8
  178 1 1
  179 1 1
  180 3 3
  182 2 2
  184 1 1
  186 1 1
  187 7 7
  188 27 27
  189 27 27
  190 11 11
  191 27 27
  192 6 6
  193 4 4
  194 1 1
  198 3 3
  199 1 1
  200 22 22
  201 7 7
  202 14 14
  203 999 999
  204 230 230
  205 96 96
  206 16 16
  207 7 7
  208 1 1
  214 10 10
  215 6 6
  216 125 125
  217 125 125
  218 53 53
  219 17 17
  220 6 6
  221 7 7
  222 1 1
  226 2 2
  228 4 4
  229 4 4
  230 5 5
  231 13 13
  232 5 5
  233 3 3
  240 4 4
  241 1 1
  242 3 3
  243 2 2
  244 2 2
  245 1 1
  246 2 2
  254 1 1
  256 1 1
  262 1 1
  265 1 1
  270 1 1
  272 1 1
  277 1 1
  288 1 1
  290 6 6
  291 6 6
  292 2 2
  302 2 2
  303 2 2
  304 51 51
  305 18 18
  306 9 9
  307 2 2
  316 2 2
  317 1 1
  318 1 1
  319 1 1
  330 1 1
  331 5 5
  332 2 2
  333 1 1
  344 2 2
  346 1 1
  434 5 5
  435 2 2
  436 1 1
//