MassBank Record: OUF00149



 D-(+)-Galactosamine; GC-EI-TOF; MS; n TMS; RT:738.716 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00149
RECORD_TITLE: D-(+)-Galactosamine; GC-EI-TOF; MS; n TMS; RT:738.716 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., 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 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 //