ACCESSION: MSBNK-Kazusa-KZ000192
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; 6 TMS; BP:159
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01468_P000134

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: KEGG C00329
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1858.8
AC$CHROMATOGRAPHY: RETENTION_TIME 865.879 sec

MS$FOCUSED_ION: BASE_PEAK 159
MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0a4i-1930000000-641b9595094291e042bf
PK$NUM_PEAK: 209
PK$PEAK: m/z int. rel.int.
  82 5 5
  83 44 44
  84 83 83
  85 19 19
  86 43 43
  87 26 26
  88 19 19
  89 326 326
  90 30 30
  91 10 10
  92 2 2
  93 3 3
  94 1 1
  96 11 11
  97 4 4
  98 9 9
  99 14 14
  100 124 124
  101 111 111
  102 111 111
  103 400 400
  104 42 42
  105 87 87
  106 8 8
  107 3 3
  110 5 5
  111 6 6
  112 7 7
  113 27 27
  114 10 10
  115 19 19
  116 24 24
  117 249 249
  118 32 32
  119 23 23
  120 2 2
  121 1 1
  124 1 1
  125 3 3
  126 8 8
  127 21 21
  128 45 45
  129 406 406
  130 76 76
  131 52 52
  132 23 23
  133 133 133
  134 19 19
  135 11 11
  137 3 3
  138 1 1
  139 1 1
  140 6 6
  141 21 21
  142 24 24
  143 34 34
  144 45 45
  145 13 13
  146 17 17
  147 745 745
  148 121 121
  149 69 69
  150 7 7
  151 3 3
  152 4 4
  153 4 4
  154 3 3
  155 1 1
  156 6 6
  157 181 181
  158 32 32
  159 999 999
  160 134 134
  161 46 46
  162 8 8
  163 17 17
  164 3 3
  165 3 3
  167 1 1
  168 25 25
  169 5 5
  170 4 4
  171 4 4
  172 21 21
  173 13 13
  174 6 6
  175 8 8
  176 2 2
  177 5 5
  178 1 1
  179 2 2
  180 1 1
  181 1 1
  182 1 1
  184 1 1
  185 4 4
  186 4 4
  187 3 3
  188 11 11
  189 42 42
  190 20 20
  191 19 19
  192 4 4
  193 1 1
  195 11 11
  196 2 2
  197 1 1
  198 1 1
  199 1 1
  200 10 10
  201 96 96
  202 30 30
  203 58 58
  204 74 74
  205 540 540
  206 106 106
  207 49 49
  208 7 7
  209 2 2
  213 7 7
  214 9 9
  215 8 8
  216 45 45
  217 167 167
  218 37 37
  219 20 20
  220 4 4
  221 9 9
  222 2 2
  223 1 1
  227 6 6
  228 4 4
  229 72 72
  230 22 22
  231 20 20
  232 40 40
  233 14 14
  234 11 11
  235 3 3
  236 1 1
  239 1 1
  240 13 13
  241 6 6
  242 8 8
  243 10 10
  244 10 10
  245 3 3
  246 1 1
  247 1 1
  253 1 1
  255 1 1
  256 4 4
  257 1 1
  258 7 7
  259 2 2
  260 2 2
  261 7 7
  262 1 1
  267 5 5
  268 3 3
  269 2 2
  273 13 13
  274 3 3
  275 1 1
  276 1 1
  277 11 11
  278 5 5
  279 1 1
  285 1 1
  288 1 1
  290 6 6
  291 14 14
  292 5 5
  293 2 2
  301 1 1
  302 1 1
  303 13 13
  304 24 24
  305 15 15
  306 7 7
  307 13 13
  308 3 3
  309 1 1
  316 3 3
  317 3 3
  318 18 18
  319 257 257
  320 79 79
  321 37 37
  322 7 7
  323 1 1
  330 5 5
  331 2 2
  332 4 4
  333 3 3
  334 2 2
  346 1 1
  357 4 4
  358 2 2
  359 1 1
  375 1 1
  420 4 4
  421 2 2
  422 1 1
  436 1 1
  446 2 2
  447 9 9
  448 5 5
  449 2 2
//