ACCESSION: MSBNK-RIKEN-PR010019
RECORD_TITLE: D-(+)-Galactosamine; GC-EI-TOF; MS; 5 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$NAME: D-Galactosamine
CH$NAME: D-(+)-Galactosamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₃NO₅
CH$EXACT_MASS: 179.07937
CH$SMILES: OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](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 1772-03-8
CH$LINK: NIKKAJI J237.701B
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N
CH$LINK: COMPTOX DTXSID7043871

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$CHROMATOGRAPHY: RETENTION_INDEX 1919.5
AC$CHROMATOGRAPHY: RETENTION_TIME 467.251 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C21H53NO5Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 539.27701
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-05fr-8920000000-889174e7b333b76113b4
PK$NUM_PEAK: 169
PK$PEAK: m/z int. rel.int.
  60 8 8
  61 7 7
  66 4 4
  67 2 2
  69 3 3
  70 4 4
  71 3 3
  72 17 17
  73 999 999
  74 90 90
  75 78 78
  76 6 6
  77 9 9
  78 1 1
  79 3 3
  80 1 1
  81 2 2
  82 2 2
  83 10 10
  84 13 13
  85 4 4
  86 11 11
  87 7 7
  88 4 4
  89 69 69
  90 6 6
  91 3 3
  96 1 1
  97 1 1
  98 2 2
  99 6 6
  100 23 23
  101 24 24
  102 12 12
  103 115 115
  104 12 12
  105 9 9
  106 1 1
  110 1 1
  111 2 2
  112 2 2
  113 15 15
  114 4 4
  115 6 6
  116 7 7
  117 67 67
  118 8 8
  119 6 6
  125 1 1
  126 2 2
  127 8 8
  128 14 14
  129 83 83
  130 16 16
  131 24 24
  132 7 7
  133 31 31
  134 4 4
  135 2 2
  137 1 1
  140 1 1
  141 9 9
  142 7 7
  143 12 12
  144 7 7
  145 3 3
  146 4 4
  147 198 198
  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 47 47
  158 8 8
  159 490 490
  160 62 62
  161 21 21
  162 2 2
  163 3 3
  165 1 1
  168 4 4
  169 2 2
  170 1 1
  171 2 2
  172 3 3
  173 2 2
  174 1 1
  175 2 2
  177 2 2
  185 2 2
  186 1 1
  187 1 1
  188 2 2
  189 13 13
  190 5 5
  191 5 5
  192 1 1
  195 1 1
  199 1 1
  200 2 2
  201 8 8
  202 3 3
  203 8 8
  204 17 17
  205 125 125
  206 25 25
  207 12 12
  208 1 1
  213 1 1
  214 3 3
  215 5 5
  216 10 10
  217 57 57
  218 12 12
  219 5 5
  220 1 1
  221 2 2
  227 2 2
  228 1 1
  229 17 17
  230 5 5
  231 7 7
  232 7 7
  233 4 4
  234 1 1
  240 2 2
  241 2 2
  242 3 3
  243 4 4
  244 2 2
  245 1 1
  247 1 1
  255 1 1
  258 1 1
  261 1 1
  267 3 3
  268 1 1
  273 30 30
  274 7 7
  275 3 3
  277 3 3
  278 1 1
  290 1 1
  291 3 3
  292 1 1
  303 5 5
  304 3 3
  305 3 3
  306 1 1
  307 3 3
  316 1 1
  318 1 1
  319 74 74
  320 22 22
  321 10 10
  322 2 2
  332 1 1
  357 1 1
  447 2 2
  448 1 1
  536 1 1
  537 7 7
  538 4 4
  539 2 2
//