ACCESSION: MSBNK-RIKEN-PR010021
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$CHROMATOGRAPHY: RETENTION_INDEX 1931.2
AC$CHROMATOGRAPHY: RETENTION_TIME 469.594 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$SPLASH: splash10-00di-9820000000-7cb80d10f2274d9860dc
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
  60 5 5
  61 5 5
  66 4 4
  67 2 2
  69 2 2
  70 4 4
  71 3 3
  72 15 15
  73 999 999
  74 87 87
  75 74 74
  76 5 5
  77 7 7
  78 1 1
  79 4 4
  80 1 1
  81 2 2
  82 1 1
  83 11 11
  84 9 9
  85 3 3
  86 9 9
  87 6 6
  88 3 3
  89 51 51
  90 5 5
  91 2 2
  93 1 1
  96 1 1
  97 1 1
  98 2 2
  99 3 3
  100 28 28
  101 24 24
  102 23 23
  103 105 105
  104 10 10
  105 21 21
  106 2 2
  110 2 2
  111 1 1
  112 1 1
  113 5 5
  114 2 2
  115 4 4
  116 6 6
  117 56 56
  118 7 7
  119 5 5
  125 1 1
  126 2 2
  127 6 6
  128 10 10
  129 87 87
  130 17 17
  131 17 17
  132 6 6
  133 31 31
  134 4 4
  135 2 2
  137 1 1
  140 1 1
  141 6 6
  142 6 6
  143 9 9
  144 5 5
  145 2 2
  146 5 5
  147 172 172
  148 28 28
  149 16 16
  150 2 2
  152 1 1
  153 1 1
  154 1 1
  156 1 1
  157 48 48
  158 8 8
  159 303 303
  160 41 41
  161 13 13
  162 2 2
  163 3 3
  165 1 1
  168 4 4
  169 1 1
  170 1 1
  171 1 1
  172 4 4
  173 2 2
  174 1 1
  175 2 2
  176 1 1
  177 2 2
  185 1 1
  186 1 1
  187 1 1
  188 2 2
  189 11 11
  190 4 4
  191 4 4
  192 1 1
  195 1 1
  200 2 2
  201 20 20
  202 6 6
  203 11 11
  204 15 15
  205 122 122
  206 24 24
  207 11 11
  208 1 1
  213 1 1
  214 2 2
  215 3 3
  216 9 9
  217 44 44
  218 9 9
  219 5 5
  221 2 2
  227 1 1
  229 15 15
  230 4 4
  231 6 6
  232 9 9
  233 4 4
  234 2 2
  240 4 4
  241 2 2
  242 2 2
  243 2 2
  244 2 2
  256 1 1
  258 1 1
  267 1 1
  273 13 13
  274 3 3
  275 1 1
  277 2 2
  278 1 1
  290 1 1
  291 3 3
  303 3 3
  304 3 3
  305 3 3
  306 1 1
  307 3 3
  318 1 1
  319 61 61
  320 19 19
  321 9 9
  322 1 1
  330 1 1
  357 1 1
  447 2 2
  448 1 1
  536 1 1
  537 4 4
  538 3 3
  539 1 1
//