ACCESSION: MSBNK-Osaka_Univ-OUF00149
RECORD_TITLE: D-(+)-Galactosamine; GC-EI-TOF; MS; n TMS; RT:738.716 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$CHROMATOGRAPHY: RETENTION_INDEX 1915.647
AC$CHROMATOGRAPHY: RETENTION_TIME 738.716 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0a4i-0920000000-2203f12ba334c2b3a486
PK$NUM_PEAK: 200
PK$PEAK: m/z int. rel.int.
  85 6 6
  86 18 18
  87 11 11
  88 4 4
  89 113 113
  90 9 9
  91 5 5
  92 1 1
  93 1 1
  94 1 1
  95 1 1
  96 3 3
  97 4 4
  98 6 6
  99 11 11
  100 39 39
  101 46 46
  102 17 17
  103 194 194
  104 21 21
  105 17 17
  106 2 2
  107 1 1
  109 1 1
  110 3 3
  111 4 4
  112 3 3
  113 30 30
  114 7 7
  115 8 8
  116 14 14
  117 132 132
  118 16 16
  119 11 11
  120 1 1
  121 1 1
  125 2 2
  126 5 5
  127 16 16
  128 21 21
  129 149 149
  130 29 29
  131 40 40
  132 16 16
  133 67 67
  134 10 10
  135 6 6
  136 1 1
  137 2 2
  139 1 1
  140 2 2
  141 16 16
  142 11 11
  143 25 25
  144 13 13
  145 6 6
  146 5 5
  147 332 332
  148 54 54
  149 35 35
  150 4 4
  151 1 1
  152 2 2
  153 4 4
  154 2 2
  155 1 1
  157 85 85
  158 16 16
  159 999 999
  160 125 125
  161 42 42
  162 5 5
  163 8 8
  164 1 1
  165 2 2
  167 1 1
  168 9 9
  169 4 4
  170 3 3
  171 5 5
  172 4 4
  173 4 4
  175 4 4
  176 1 1
  177 3 3
  178 1 1
  179 2 2
  180 1 1
  181 1 1
  182 1 1
  183 1 1
  184 1 1
  185 4 4
  186 3 3
  187 2 2
  188 4 4
  189 27 27
  190 14 14
  191 9 9
  192 2 2
  193 1 1
  195 3 3
  196 1 1
  197 1 1
  198 1 1
  199 3 3
  200 2 2
  201 11 11
  202 3 3
  203 13 13
  204 36 36
  205 216 216
  206 44 44
  207 21 21
  208 3 3
  209 2 2
  211 1 1
  213 3 3
  214 5 5
  215 10 10
  216 19 19
  217 106 106
  218 21 21
  219 10 10
  220 1 1
  221 5 5
  222 1 1
  223 1 1
  226 1 1
  227 4 4
  228 2 2
  229 25 25
  230 8 8
  231 12 12
  232 12 12
  233 8 8
  234 2 2
  235 1 1
  239 1 1
  240 5 5
  241 4 4
  242 6 6
  243 6 6
  244 5 5
  245 3 3
  246 1 1
  247 2 2
  254 1 1
  255 1 1
  256 1 1
  258 2 2
  259 1 1
  260 1 1
  261 2 2
  267 5 5
  268 2 2
  269 1 1
  270 1 1
  273 49 49
  274 14 14
  275 6 6
  276 1 1
  277 6 6
  278 4 4
  279 2 2
  285 1 1
  287 1 1
  288 1 1
  290 2 2
  291 8 8
  292 3 3
  293 1 1
  303 8 8
  304 6 6
  305 6 6
  306 3 3
  307 5 5
  308 2 2
  314 1 1
  315 1 1
  316 2 2
  317 1 1
  318 2 2
  319 113 113
  320 44 44
  321 21 21
  322 5 5
  323 1 1
  330 1 1
  332 2 2
  333 1 1
  357 3 3
  358 2 2
  359 1 1
  375 1 1
  447 4 4
  448 3 3
  449 1 1
  450 1 1
  463 1 1
//