ACCESSION: MSBNK-Osaka_Univ-OUF00150
RECORD_TITLE: D-(+)-Galactosamine; GC-EI-TOF; MS; n TMS; RT:743.108 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: D-(+)-Galactosamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₃NO₅
CH$EXACT_MASS: 179.07937
CH$SMILES: O=CC(N)C(O)C(O)C(O)CO
CH$IUPAC: InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6-/m0/s1
CH$LINK: CAS 7535-00-4
CH$LINK: CHEBI 28328
CH$LINK: CHEMSPIDER 2073127
CH$LINK: PUBCHEM CID:2794221
CH$LINK: INCHIKEY FZHXIRIBWMQPQF-KCDKBNATSA-N

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1926.781
AC$CHROMATOGRAPHY: RETENTION_TIME 743.108 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0a4i-0920000000-b03853246c403c953045
PK$NUM_PEAK: 228
PK$PEAK: m/z int. rel.int.
  85 16 16
  86 37 37
  87 31 31
  88 20 20
  89 166 166
  90 19 19
  91 9 9
  93 4 4
  94 1 1
  95 2 2
  96 6 6
  97 6 6
  98 13 13
  99 20 20
  100 111 111
  101 97 97
  102 81 81
  103 345 345
  104 39 39
  105 84 84
  106 9 9
  107 3 3
  109 1 1
  110 9 9
  111 10 10
  112 9 9
  113 26 26
  114 12 12
  115 23 23
  116 28 28
  117 227 227
  118 33 33
  119 26 26
  120 4 4
  121 2 2
  123 1 1
  124 2 2
  125 5 5
  126 12 12
  127 27 27
  128 41 41
  129 307 307
  130 65 65
  131 73 73
  132 29 29
  133 136 136
  134 23 23
  135 13 13
  137 6 6
  138 1 1
  139 1 1
  140 5 5
  141 25 25
  142 27 27
  143 39 39
  144 23 23
  145 14 14
  146 19 19
  147 654 654
  148 109 109
  149 63 63
  150 9 9
  151 5 5
  152 3 3
  153 5 5
  154 3 3
  155 4 4
  156 6 6
  157 158 158
  158 32 32
  159 999 999
  160 141 141
  161 51 51
  162 9 9
  163 20 20
  164 2 2
  165 5 5
  167 2 2
  168 18 18
  169 7 7
  170 6 6
  171 7 7
  172 19 19
  173 12 12
  174 7 7
  175 11 11
  176 5 5
  177 9 9
  178 3 3
  179 3 3
  180 2 2
  181 2 2
  182 3 3
  183 1 1
  184 2 2
  185 6 6
  186 6 6
  187 6 6
  188 12 12
  189 49 49
  190 28 28
  191 21 21
  192 4 4
  193 3 3
  194 1 1
  195 4 4
  196 2 2
  197 3 3
  198 1 1
  199 3 3
  200 13 13
  201 63 63
  202 23 23
  203 41 41
  204 62 62
  205 388 388
  206 81 81
  207 42 42
  208 8 8
  209 2 2
  211 1 1
  212 2 2
  213 9 9
  214 10 10
  215 15 15
  216 40 40
  217 157 157
  218 38 38
  219 22 22
  220 6 6
  221 10 10
  222 2 2
  223 1 1
  227 7 7
  228 4 4
  229 52 52
  230 20 20
  231 24 24
  232 30 30
  233 19 19
  234 10 10
  235 2 2
  237 1 1
  238 1 1
  239 2 2
  240 16 16
  241 11 11
  242 9 9
  243 11 11
  244 7 7
  245 3 3
  246 1 1
  247 3 3
  249 1 1
  253 2 2
  254 1 1
  255 1 1
  256 4 4
  257 1 1
  258 4 4
  259 2 2
  260 1 1
  261 3 3
  263 1 1
  267 6 6
  268 3 3
  269 2 2
  270 1 1
  271 1 1
  272 2 2
  273 46 46
  274 16 16
  275 6 6
  276 2 2
  277 11 11
  278 7 7
  279 3 3
  280 1 1
  282 1 1
  285 2 2
  289 1 1
  290 5 5
  291 15 15
  292 6 6
  293 3 3
  294 1 1
  301 1 1
  302 1 1
  303 14 14
  304 14 14
  305 11 11
  306 6 6
  307 12 12
  308 3 3
  309 2 2
  315 1 1
  316 2 2
  317 2 2
  318 8 8
  319 194 194
  320 82 82
  321 39 39
  322 11 11
  323 2 2
  330 5 5
  331 3 3
  332 3 3
  333 2 2
  334 1 1
  357 4 4
  358 2 2
  359 1 1
  360 1 1
  364 1 1
  373 1 1
  375 2 2
  406 1 1
  409 1 1
  412 1 1
  420 2 2
  421 1 1
  432 1 1
  446 2 2
  447 6 6
  448 5 5
  449 2 2
  450 1 1
  452 1 1
//