ACCESSION: MSBNK-RIKEN-PR010143
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; 6 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 66-84-2
CH$LINK: NIKKAJI J237.204E
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$CHROMATOGRAPHY: RETENTION_INDEX 1928.9
AC$CHROMATOGRAPHY: RETENTION_TIME 462.631 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C24H61NO5Si6
MS$FOCUSED_ION: DERIVATIVE_MASS 611.31653
MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9820000000-b0321bba020e75223574
PK$NUM_PEAK: 162
PK$PEAK: m/z int. rel.int.
  60 8 8
  61 7 7
  66 4 4
  67 2 2
  69 2 2
  70 4 4
  71 3 3
  72 17 17
  73 999 999
  74 87 87
  75 76 76
  76 6 6
  77 8 8
  78 1 1
  79 2 2
  80 1 1
  81 2 2
  82 2 2
  83 12 12
  84 12 12
  85 4 4
  86 11 11
  87 7 7
  88 5 5
  89 61 61
  90 5 5
  91 2 2
  96 1 1
  97 1 1
  98 2 2
  99 6 6
  100 25 25
  101 26 26
  102 15 15
  103 89 89
  104 9 9
  105 10 10
  106 1 1
  110 1 1
  111 2 2
  112 2 2
  113 16 16
  114 4 4
  115 6 6
  116 7 7
  117 66 66
  118 8 8
  119 6 6
  125 1 1
  126 2 2
  127 7 7
  128 13 13
  129 99 99
  130 18 18
  131 25 25
  132 7 7
  133 32 32
  134 4 4
  135 2 2
  137 1 1
  140 1 1
  141 7 7
  142 7 7
  143 11 11
  144 12 12
  145 3 3
  146 3 3
  147 188 188
  148 30 30
  149 18 18
  150 2 2
  151 1 1
  152 1 1
  153 1 1
  154 1 1
  155 1 1
  156 1 1
  157 51 51
  158 9 9
  159 344 344
  160 39 39
  161 13 13
  162 2 2
  163 3 3
  165 1 1
  168 5 5
  169 1 1
  170 1 1
  171 2 2
  172 3 3
  173 2 2
  174 1 1
  175 2 2
  177 1 1
  185 1 1
  186 1 1
  187 1 1
  188 2 2
  189 10 10
  190 4 4
  191 4 4
  192 1 1
  195 1 1
  199 1 1
  200 2 2
  201 11 11
  202 3 3
  203 9 9
  204 19 19
  205 120 120
  206 24 24
  207 11 11
  208 1 1
  209 1 1
  213 1 1
  214 2 2
  215 4 4
  216 8 8
  217 35 35
  218 8 8
  219 3 3
  221 2 2
  227 2 2
  228 1 1
  229 17 17
  230 5 5
  231 4 4
  232 6 6
  233 2 2
  234 1 1
  240 2 2
  241 1 1
  242 2 2
  243 2 2
  244 2 2
  245 1 1
  258 1 1
  261 2 2
  267 1 1
  273 7 7
  274 1 1
  277 2 2
  278 1 1
  290 1 1
  291 4 4
  292 1 1
  303 2 2
  304 4 4
  305 3 3
  306 1 1
  307 2 2
  318 1 1
  319 75 75
  320 22 22
  321 11 11
  322 2 2
  332 1 1
  357 1 1
  447 1 1
  537 3 3
  538 2 2
  539 1 1
//