ACCESSION: MSBNK-Kazusa-KZ000193
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_P000136

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 1872.8
AC$CHROMATOGRAPHY: RETENTION_TIME 871.879 sec

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

PK$SPLASH: splash10-0a4i-1920000000-cc14b9deaf38bb2e7f0b
PK$NUM_PEAK: 218
PK$PEAK: m/z int. rel.int.
  82 6 6
  83 30 30
  84 51 51
  85 14 14
  86 34 34
  87 18 18
  88 13 13
  89 294 294
  90 28 28
  91 12 12
  92 1 1
  93 2 2
  94 1 1
  95 1 1
  96 4 4
  97 4 4
  98 7 7
  99 16 16
  100 60 60
  101 68 68
  102 33 33
  103 236 236
  104 26 26
  105 21 21
  106 3 3
  107 1 1
  109 1 1
  110 3 3
  111 6 6
  112 6 6
  113 42 42
  114 10 10
  115 15 15
  116 17 17
  117 180 180
  118 22 22
  119 16 16
  120 2 2
  121 1 1
  124 1 1
  125 3 3
  126 6 6
  127 18 18
  128 33 33
  129 245 245
  130 46 46
  132 13 13
  133 78 78
  134 12 12
  135 7 7
  136 1 1
  137 3 3
  138 1 1
  139 2 2
  140 4 4
  141 21 21
  142 20 20
  143 31 31
  144 30 30
  145 9 9
  146 9 9
  147 545 545
  148 89 89
  149 51 51
  150 6 6
  151 3 3
  152 3 3
  153 4 4
  154 4 4
  155 3 3
  156 4 4
  157 139 139
  158 24 24
  159 999 999
  160 130 130
  161 44 44
  162 5 5
  163 9 9
  164 2 2
  165 2 2
  166 1 1
  167 2 2
  168 15 15
  169 5 5
  170 3 3
  171 6 6
  172 9 9
  173 7 7
  174 3 3
  175 6 6
  176 2 2
  177 3 3
  178 1 1
  179 2 2
  180 1 1
  181 1 1
  182 1 1
  183 1 1
  184 1 1
  185 5 5
  186 4 4
  187 3 3
  188 6 6
  189 29 29
  190 12 12
  191 11 11
  192 2 2
  193 1 1
  195 3 3
  196 1 1
  197 1 1
  198 1 1
  199 3 3
  200 7 7
  201 27 27
  202 9 9
  203 27 27
  204 51 51
  205 380 380
  206 75 75
  207 35 35
  208 5 5
  209 2 2
  212 1 1
  213 4 4
  214 8 8
  215 12 12
  216 25 25
  217 122 122
  218 28 28
  219 12 12
  220 2 2
  221 7 7
  222 2 2
  223 1 1
  226 1 1
  227 7 7
  228 4 4
  229 52 52
  230 16 16
  231 13 13
  232 25 25
  233 8 8
  234 3 3
  235 1 1
  239 1 1
  240 6 6
  241 4 4
  242 6 6
  243 8 8
  244 8 8
  245 3 3
  246 1 1
  247 1 1
  253 1 1
  255 2 2
  256 1 1
  257 1 1
  258 4 4
  259 1 1
  260 1 1
  261 7 7
  262 2 2
  263 1 1
  267 3 3
  268 2 2
  269 1 1
  270 1 1
  273 25 25
  274 6 6
  275 2 2
  277 7 7
  278 3 3
  279 1 1
  285 1 1
  287 1 1
  288 1 1
  289 1 1
  290 3 3
  291 11 11
  292 3 3
  293 1 1
  301 1 1
  302 1 1
  303 6 6
  304 15 15
  305 11 11
  306 5 5
  307 6 6
  308 1 1
  314 1 1
  316 3 3
  317 2 2
  318 11 11
  319 212 212
  320 64 64
  321 31 31
  322 6 6
  323 1 1
  329 1 1
  330 2 2
  331 1 1
  332 3 3
  333 1 1
  334 1 1
  335 1 1
  342 1 1
  343 1 1
  357 3 3
  358 1 1
  359 1 1
  375 1 1
  420 1 1
  447 4 4
  448 2 2
  449 1 1
  463 2 2
  464 1 1
//