MassBank Record: OUF00150



 D-(+)-Galactosamine; GC-EI-TOF; MS; n TMS; RT:743.108 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00150
RECORD_TITLE: D-(+)-Galactosamine; GC-EI-TOF; MS; n TMS; RT:743.108 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 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 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)