MassBank Record: OUF00172



 D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:743.655 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00172
RECORD_TITLE: D-(+)-Glucosamine; GC-EI-TOF; MS; n TMS; RT:743.655 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$CHROMATOGRAPHY: RETENTION_INDEX 1928.167 AC$CHROMATOGRAPHY: RETENTION_TIME 743.655 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0udi-0890000000-d07dc76ed5b2a3a1fa73 PK$NUM_PEAK: 154 PK$PEAK: m/z int. rel.int. 85 9 9 86 9 9 87 10 10 88 5 5 89 23 23 90 5 5 91 1 1 94 2 2 95 1 1 96 2 2 97 3 3 98 6 6 99 10 10 100 110 110 101 35 35 102 29 29 103 108 108 104 13 13 105 7 7 106 1 1 108 6 6 109 1 1 110 2 2 111 5 5 112 5 5 113 11 11 114 10 10 115 33 33 116 24 24 117 75 75 118 12 12 119 12 12 120 1 1 124 1 1 125 1 1 126 5 5 127 6 6 128 35 35 129 60 60 130 29 29 131 170 170 132 33 33 133 68 68 134 12 12 135 7 7 136 1 1 138 1 1 140 5 5 141 3 3 142 20 20 143 16 16 144 19 19 145 11 11 146 15 15 147 248 248 148 43 43 149 28 28 150 4 4 151 2 2 152 9 9 153 2 2 154 4 4 155 2 2 156 9 9 157 5 5 158 7 7 159 3 3 160 2 2 161 2 2 162 10 10 163 5 5 164 1 1 168 7 7 169 6 6 170 4 4 171 3 3 172 13 13 173 7 7 174 7 7 175 4 4 176 3 3 177 5 5 178 1 1 180 4 4 181 1 1 182 2 2 184 1 1 186 1 1 187 3 3 188 22 22 189 25 25 190 12 12 191 24 24 192 5 5 193 3 3 196 1 1 197 1 1 198 2 2 199 1 1 200 5 5 201 3 3 202 12 12 203 999 999 204 231 231 205 93 93 206 15 15 207 5 5 214 6 6 215 4 4 216 113 113 217 129 129 218 49 49 219 17 17 220 5 5 221 5 5 222 1 1 226 1 1 228 4 4 229 3 3 230 4 4 231 9 9 232 2 2 233 3 3 240 4 4 241 1 1 242 3 3 243 3 3 244 1 1 245 2 2 246 1 1 254 2 2 256 1 1 258 1 1 259 1 1 270 1 1 272 1 1 290 5 5 291 5 5 292 1 1 302 1 1 303 2 2 304 35 35 305 14 14 306 6 6 307 1 1 316 1 1 331 5 5 332 1 1 344 2 2 345 1 1 346 1 1 434 4 4 435 2 2 436 1 1 //