MassBank Record: OUF00170



 D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:741.056 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00170
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:741.056 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$NAME: D-Glucosamine CH$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$LINK: CHEMSPIDER 17216133 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-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$CHROMATOGRAPHY: RETENTION_INDEX 1921.579 AC$CHROMATOGRAPHY: RETENTION_TIME 741.056 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0a4i-0920000000-285efea59e96086f68a9 PK$NUM_PEAK: 214 PK$PEAK: m/z int. rel.int. 85 15 15 86 38 38 87 33 33 88 17 17 89 176 176 90 18 18 91 8 8 92 1 1 93 3 3 94 2 2 95 2 2 96 6 6 97 6 6 98 10 10 99 23 23 100 80 80 101 81 81 102 46 46 103 280 280 104 30 30 105 30 30 106 5 5 107 1 1 108 1 1 109 1 1 110 5 5 111 9 9 112 8 8 113 49 49 114 14 14 115 19 19 116 25 25 117 229 229 118 30 30 119 21 21 120 3 3 121 1 1 123 1 1 124 1 1 125 4 4 126 8 8 127 24 24 128 46 46 129 309 309 130 59 59 131 79 79 132 24 24 133 113 113 134 18 18 135 10 10 136 2 2 137 6 6 138 1 1 139 2 2 140 6 6 141 28 28 142 25 25 143 38 38 144 43 43 145 13 13 146 13 13 147 616 616 148 103 103 149 61 61 150 8 8 151 4 4 152 4 4 153 6 6 154 5 5 155 4 4 156 6 6 157 169 169 158 31 31 159 999 999 160 133 133 161 46 46 162 7 7 163 13 13 164 3 3 165 3 3 166 1 1 167 2 2 168 20 20 169 8 8 170 5 5 171 9 9 172 12 12 173 10 10 174 4 4 175 9 9 176 3 3 177 5 5 178 2 2 179 3 3 180 1 1 181 2 2 182 2 2 183 2 2 184 1 1 185 6 6 186 5 5 187 4 4 188 9 9 189 36 36 190 17 17 191 16 16 192 4 4 193 2 2 195 5 5 196 1 1 197 1 1 198 2 2 199 4 4 200 9 9 201 34 34 202 14 14 203 28 28 204 63 63 205 367 367 206 74 74 207 36 36 208 6 6 209 3 3 211 1 1 212 1 1 213 5 5 214 9 9 215 14 14 216 29 29 217 121 121 218 27 27 219 13 13 220 3 3 221 9 9 222 2 2 223 1 1 226 1 1 227 9 9 228 5 5 229 55 55 230 18 18 231 16 16 232 29 29 233 10 10 234 5 5 235 1 1 239 2 2 240 7 7 241 5 5 242 7 7 243 9 9 244 9 9 245 3 3 246 2 2 247 1 1 253 1 1 255 2 2 256 1 1 257 1 1 258 5 5 259 2 2 260 2 2 261 7 7 262 2 2 267 4 4 268 3 3 269 2 2 273 21 21 274 7 7 275 3 3 276 1 1 277 7 7 278 4 4 279 1 1 285 2 2 288 1 1 289 1 1 290 4 4 291 14 14 292 4 4 293 2 2 301 1 1 302 1 1 303 7 7 304 14 14 305 12 12 306 7 7 307 7 7 308 2 2 309 1 1 316 3 3 317 2 2 318 8 8 319 209 209 320 73 73 321 33 33 322 9 9 323 2 2 330 2 2 332 3 3 333 2 2 334 1 1 335 1 1 357 2 2 358 1 1 359 1 1 375 1 1 420 1 1 422 1 1 447 4 4 448 2 2 449 1 1 450 1 1 463 1 1 //