MassBank Record: OUF00171



 D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:731.959 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00171
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:731.959 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$CHROMATOGRAPHY: RETENTION_INDEX 1898.593 AC$CHROMATOGRAPHY: RETENTION_TIME 731.959 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0udi-0890000000-ad3197a0f8e9df6ace0b PK$NUM_PEAK: 162 PK$PEAK: m/z int. rel.int. 85 10 10 86 11 11 87 11 11 88 5 5 89 34 34 90 5 5 91 2 2 94 3 3 95 1 1 96 3 3 97 3 3 98 6 6 99 10 10 100 104 104 101 39 39 102 32 32 103 112 112 104 13 13 105 9 9 106 1 1 108 6 6 109 1 1 110 3 3 111 5 5 112 6 6 113 12 12 114 9 9 115 35 35 116 26 26 117 110 110 118 15 15 119 15 15 120 2 2 124 1 1 125 2 2 126 6 6 127 8 8 128 40 40 129 62 62 130 34 34 131 153 153 132 32 32 133 74 74 134 12 12 135 7 7 136 1 1 139 1 1 140 6 6 141 4 4 142 23 23 143 17 17 144 19 19 145 11 11 146 16 16 147 267 267 148 46 46 149 31 31 150 4 4 151 2 2 152 14 14 153 2 2 154 5 5 155 4 4 156 15 15 157 9 9 158 7 7 159 5 5 160 3 3 161 2 2 162 9 9 163 6 6 164 2 2 165 1 1 166 1 1 168 7 7 169 4 4 170 5 5 171 2 2 172 16 16 173 8 8 174 7 7 175 5 5 176 2 2 177 8 8 178 1 1 179 1 1 180 3 3 182 2 2 184 1 1 186 1 1 187 7 7 188 27 27 189 27 27 190 11 11 191 27 27 192 6 6 193 4 4 194 1 1 198 3 3 199 1 1 200 22 22 201 7 7 202 14 14 203 999 999 204 230 230 205 96 96 206 16 16 207 7 7 208 1 1 214 10 10 215 6 6 216 125 125 217 125 125 218 53 53 219 17 17 220 6 6 221 7 7 222 1 1 226 2 2 228 4 4 229 4 4 230 5 5 231 13 13 232 5 5 233 3 3 240 4 4 241 1 1 242 3 3 243 2 2 244 2 2 245 1 1 246 2 2 254 1 1 256 1 1 262 1 1 265 1 1 270 1 1 272 1 1 277 1 1 288 1 1 290 6 6 291 6 6 292 2 2 302 2 2 303 2 2 304 51 51 305 18 18 306 9 9 307 2 2 316 2 2 317 1 1 318 1 1 319 1 1 330 1 1 331 5 5 332 2 2 333 1 1 344 2 2 346 1 1 434 5 5 435 2 2 436 1 1 //