MassBank Record: KZ000249



 N-Acetyl-D-mannosamine; GC-EI-TOF; MS; 4 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000249
RECORD_TITLE: N-Acetyl-D-mannosamine; GC-EI-TOF; MS; 4 TMS; BP:147
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_01613_P000103

CH$NAME: N-Acetyl-D-mannosamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C8H15NO6 CH$EXACT_MASS: 221.08994 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1 CH$LINK: CAS 3615-17-6 CH$LINK: KEGG C00645 CH$LINK: INCHIKEY OVRNDRQMDRJTHS-ZTVVOAFPSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 2044.0 AC$CHROMATOGRAPHY: RETENTION_TIME 936.544 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0ktb-1931000000-24e6942e5a1899d02689 PK$NUM_PEAK: 292 PK$PEAK: m/z int. rel.int. 82 29 29 83 68 68 84 27 27 85 25 25 86 26 26 87 71 71 88 20 20 89 258 258 90 27 27 91 15 15 92 3 3 93 3 3 94 5 5 95 11 11 96 16 16 97 12 12 98 13 13 99 30 30 100 68 68 101 95 95 102 46 46 103 361 361 104 38 38 105 43 43 106 7 7 107 5 5 108 4 4 109 7 7 110 8 8 111 15 15 112 22 22 113 53 53 114 52 52 115 36 36 116 104 104 117 406 406 118 48 48 119 34 34 120 7 7 121 4 4 122 3 3 123 4 4 124 3 3 125 7 7 126 14 14 127 28 28 128 22 22 129 461 461 130 75 75 131 103 103 132 27 27 133 176 176 134 25 25 135 17 17 136 3 3 137 7 7 138 4 4 139 7 7 140 10 10 141 18 18 142 22 22 143 50 50 144 31 31 145 14 14 146 5 5 147 999 999 148 165 165 149 101 101 150 14 14 151 8 8 152 7 7 153 11 11 154 14 14 155 20 20 156 28 28 157 265 265 158 52 52 159 173 173 160 26 26 161 13 13 162 6 6 163 19 19 164 4 4 165 5 5 166 4 4 167 10 10 168 13 13 169 22 22 170 23 23 171 58 58 172 20 20 173 37 37 174 12 12 175 13 13 176 4 4 177 7 7 178 4 4 179 5 5 180 4 4 181 7 7 182 8 8 183 14 14 184 7 7 185 12 12 186 17 17 187 7 7 188 8 8 189 52 52 190 20 20 191 64 64 192 13 13 193 8 8 194 4 4 195 7 7 196 6 6 197 5 5 198 4 4 199 5 5 200 6 6 201 214 214 202 135 135 203 36 36 204 76 76 205 537 537 206 107 107 207 55 55 208 8 8 209 5 5 210 6 6 211 4 4 212 3 3 213 23 23 214 10 10 215 9 9 216 9 9 217 123 123 218 28 28 219 14 14 220 4 4 221 17 17 222 6 6 223 4 4 224 2 2 225 3 3 226 2 2 227 9 9 228 6 6 229 73 73 230 40 40 231 24 24 232 10 10 233 3 3 234 2 2 235 1 1 236 1 1 237 3 3 238 3 3 239 2 2 240 4 4 241 4 4 242 8 8 243 28 28 244 15 15 245 15 15 246 12 12 247 5 5 248 2 2 249 2 2 250 1 1 251 2 2 252 2 2 253 2 2 254 1 1 255 5 5 256 4 4 257 6 6 258 10 10 259 4 4 260 6 6 261 2 2 262 2 2 263 1 1 264 1 1 265 3 3 266 1 1 267 1 1 268 2 2 269 4 4 270 3 3 271 4 4 272 3 3 273 2 2 274 16 16 275 6 6 276 3 3 277 8 8 278 4 4 279 1 1 280 1 1 281 1 1 282 1 1 283 1 1 284 4 4 285 5 5 286 3 3 287 2 2 288 1 1 289 1 1 290 2 2 291 13 13 292 5 5 293 3 3 294 2 2 295 1 1 296 1 1 297 2 2 299 1 1 300 3 3 301 2 2 302 2 2 303 5 5 304 3 3 305 11 11 306 4 4 307 4 4 308 2 2 309 2 2 310 3 3 311 2 2 312 1 1 313 1 1 314 1 1 315 15 15 316 4 4 317 3 3 318 27 27 319 312 312 320 98 98 321 46 46 322 9 9 323 2 2 324 1 1 327 1 1 330 1 1 331 1 1 332 3 3 333 2 2 334 1 1 336 1 1 338 1 1 339 1 1 340 1 1 341 2 2 342 2 2 343 1 1 344 2 2 345 1 1 346 1 1 347 1 1 348 1 1 355 1 1 357 1 1 358 1 1 359 1 1 360 1 1 361 1 1 362 1 1 363 1 1 371 1 1 372 1 1 373 1 1 374 2 2 375 1 1 376 1 1 377 1 1 383 1 1 384 1 1 385 1 1 386 1 1 387 1 1 388 1 1 390 1 1 394 1 1 398 1 1 399 2 2 400 1 1 404 1 1 405 3 3 417 1 1 431 1 1 489 1 1 490 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)