ACCESSION: MSBNK-RIKEN-PR010020
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$CHROMATOGRAPHY: RETENTION_INDEX 1925.7
AC$CHROMATOGRAPHY: RETENTION_TIME 468.505 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$SPLASH: splash10-00di-9710000000-cb25ace7443af0fa2d98
PK$NUM_PEAK: 159
PK$PEAK: m/z int. rel.int.
  60 12 12
  61 14 14
  62 1 1
  63 1 1
  65 1 1
  66 7 7
  67 4 4
  69 3 3
  70 6 6
  71 4 4
  72 18 18
  73 999 999
  74 101 101
  75 221 221
  76 20 20
  77 25 25
  78 4 4
  79 13 13
  80 3 3
  81 2 2
  82 3 3
  83 15 15
  84 24 24
  85 6 6
  86 12 12
  87 13 13
  88 5 5
  89 89 89
  90 9 9
  91 3 3
  92 1 1
  93 1 1
  94 1 1
  95 1 1
  96 2 2
  97 1 1
  98 3 3
  99 7 7
  100 21 21
  101 26 26
  102 13 13
  103 86 86
  104 9 9
  105 5 5
  110 1 1
  111 3 3
  112 2 2
  113 14 14
  114 4 4
  115 5 5
  116 8 8
  117 66 66
  118 8 8
  119 6 6
  120 1 1
  126 1 1
  127 7 7
  128 16 16
  129 114 114
  130 20 20
  131 28 28
  132 7 7
  133 31 31
  134 3 3
  135 3 3
  137 1 1
  139 1 1
  140 1 1
  141 7 7
  142 8 8
  143 12 12
  144 16 16
  145 3 3
  146 3 3
  147 204 204
  148 32 32
  149 19 19
  150 1 1
  152 1 1
  153 1 1
  154 1 1
  155 1 1
  156 1 1
  157 61 61
  158 11 11
  159 306 306
  160 41 41
  161 15 15
  162 2 2
  163 4 4
  165 1 1
  168 6 6
  169 2 2
  171 3 3
  172 3 3
  173 2 2
  174 1 1
  175 2 2
  177 1 1
  185 2 2
  186 1 1
  187 1 1
  188 2 2
  189 9 9
  190 4 4
  191 4 4
  192 1 1
  195 1 1
  199 1 1
  200 3 3
  201 10 10
  202 2 2
  203 12 12
  204 18 18
  205 132 132
  206 25 25
  207 11 11
  209 1 1
  213 1 1
  214 2 2
  215 3 3
  216 8 8
  217 36 36
  218 8 8
  219 3 3
  221 2 2
  227 2 2
  229 19 19
  230 6 6
  231 4 4
  232 12 12
  233 3 3
  240 1 1
  241 1 1
  242 1 1
  243 2 2
  244 3 3
  245 1 1
  258 1 1
  261 2 2
  267 1 1
  268 1 1
  273 1 1
  277 2 2
  291 3 3
  292 1 1
  304 5 5
  305 4 4
  306 1 1
  307 1 1
  318 1 1
  319 77 77
  320 23 23
  321 10 10
  322 1 1
  332 1 1
  447 1 1
  537 1 1
  538 1 1
//