MassBank Record: KZ000193



 D-(+)-Glucosamine; GC-EI-TOF; MS; 6 TMS; BP:159 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000193
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; 6 TMS; BP:159
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01468_P000136

CH$NAME: D-(+)-Glucosamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H13NO5 CH$EXACT_MASS: 179.07937 CH$SMILES: OCC(O1)C(O)C(O)C(N)C(O)1 CH$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$LINK: CAS 3416-24-8 CH$LINK: KEGG C00329 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N CH$LINK: COMPTOX DTXSID4023098
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1872.8 AC$CHROMATOGRAPHY: RETENTION_TIME 871.879 sec
MS$FOCUSED_ION: BASE_PEAK 159 MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-1920000000-cc14b9deaf38bb2e7f0b PK$NUM_PEAK: 218 PK$PEAK: m/z int. rel.int. 82 6 6 83 30 30 84 51 51 85 14 14 86 34 34 87 18 18 88 13 13 89 294 294 90 28 28 91 12 12 92 1 1 93 2 2 94 1 1 95 1 1 96 4 4 97 4 4 98 7 7 99 16 16 100 60 60 101 68 68 102 33 33 103 236 236 104 26 26 105 21 21 106 3 3 107 1 1 109 1 1 110 3 3 111 6 6 112 6 6 113 42 42 114 10 10 115 15 15 116 17 17 117 180 180 118 22 22 119 16 16 120 2 2 121 1 1 124 1 1 125 3 3 126 6 6 127 18 18 128 33 33 129 245 245 130 46 46 132 13 13 133 78 78 134 12 12 135 7 7 136 1 1 137 3 3 138 1 1 139 2 2 140 4 4 141 21 21 142 20 20 143 31 31 144 30 30 145 9 9 146 9 9 147 545 545 148 89 89 149 51 51 150 6 6 151 3 3 152 3 3 153 4 4 154 4 4 155 3 3 156 4 4 157 139 139 158 24 24 159 999 999 160 130 130 161 44 44 162 5 5 163 9 9 164 2 2 165 2 2 166 1 1 167 2 2 168 15 15 169 5 5 170 3 3 171 6 6 172 9 9 173 7 7 174 3 3 175 6 6 176 2 2 177 3 3 178 1 1 179 2 2 180 1 1 181 1 1 182 1 1 183 1 1 184 1 1 185 5 5 186 4 4 187 3 3 188 6 6 189 29 29 190 12 12 191 11 11 192 2 2 193 1 1 195 3 3 196 1 1 197 1 1 198 1 1 199 3 3 200 7 7 201 27 27 202 9 9 203 27 27 204 51 51 205 380 380 206 75 75 207 35 35 208 5 5 209 2 2 212 1 1 213 4 4 214 8 8 215 12 12 216 25 25 217 122 122 218 28 28 219 12 12 220 2 2 221 7 7 222 2 2 223 1 1 226 1 1 227 7 7 228 4 4 229 52 52 230 16 16 231 13 13 232 25 25 233 8 8 234 3 3 235 1 1 239 1 1 240 6 6 241 4 4 242 6 6 243 8 8 244 8 8 245 3 3 246 1 1 247 1 1 253 1 1 255 2 2 256 1 1 257 1 1 258 4 4 259 1 1 260 1 1 261 7 7 262 2 2 263 1 1 267 3 3 268 2 2 269 1 1 270 1 1 273 25 25 274 6 6 275 2 2 277 7 7 278 3 3 279 1 1 285 1 1 287 1 1 288 1 1 289 1 1 290 3 3 291 11 11 292 3 3 293 1 1 301 1 1 302 1 1 303 6 6 304 15 15 305 11 11 306 5 5 307 6 6 308 1 1 314 1 1 316 3 3 317 2 2 318 11 11 319 212 212 320 64 64 321 31 31 322 6 6 323 1 1 329 1 1 330 2 2 331 1 1 332 3 3 333 1 1 334 1 1 335 1 1 342 1 1 343 1 1 357 3 3 358 1 1 359 1 1 375 1 1 420 1 1 447 4 4 448 2 2 449 1 1 463 2 2 464 1 1 //

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