MassBank Record: KZ000199



 D-(+)-Mannose; GC-EI-TOF; MS; 5 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000199
RECORD_TITLE: D-(+)-Mannose; GC-EI-TOF; MS; 5 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_01474_P000159

CH$NAME: D-(+)-Mannose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H12O6 CH$EXACT_MASS: 180.06339 CH$SMILES: OCC(O1)C(O)C(O)C(O)C(O)1 CH$IUPAC: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 CH$LINK: CAS 3458-28-4 CH$LINK: KEGG C00159 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-QTVWNMPRSA-N CH$LINK: COMPTOX DTXSID5040463
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 1812.2 AC$CHROMATOGRAPHY: RETENTION_TIME 842.412 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kb-1931000000-ec423f92582012821c6a PK$NUM_PEAK: 222 PK$PEAK: m/z int. rel.int. 82 24 24 83 38 38 84 49 49 85 26 26 86 16 16 87 30 30 88 14 14 89 274 274 90 28 28 91 13 13 92 3 3 93 7 7 94 5 5 95 3 3 96 2 2 97 9 9 98 9 9 99 26 26 100 39 39 101 109 109 102 40 40 103 427 427 104 37 37 105 89 89 107 4 4 109 2 2 110 2 2 111 11 11 112 8 8 113 19 19 114 40 40 115 38 38 116 36 36 117 333 333 118 28 28 119 28 28 120 5 5 121 2 2 123 2 2 124 2 2 125 3 3 126 11 11 127 15 15 128 13 13 129 326 326 130 50 50 131 113 113 132 24 24 133 245 245 134 28 28 135 13 13 136 1 1 137 2 2 138 2 2 139 2 2 140 3 3 141 4 4 142 19 19 143 41 41 144 7 7 145 34 34 146 1 1 147 999 999 148 151 151 149 84 84 150 6 6 151 5 5 152 4 4 153 2 2 154 7 7 155 5 5 156 6 6 157 194 194 158 29 29 159 16 16 160 350 350 161 42 42 162 15 15 163 23 23 164 4 4 165 2 2 166 2 2 168 5 5 169 8 8 170 7 7 171 5 5 172 27 27 173 15 15 174 4 4 175 11 11 176 3 3 177 15 15 178 3 3 180 2 2 181 2 2 182 3 3 183 1 1 184 3 3 185 1 1 186 9 9 187 7 7 188 2 2 189 79 79 190 29 29 191 44 44 192 8 8 193 2 2 196 3 3 197 1 1 198 2 2 199 1 1 200 2 2 201 109 109 202 23 23 203 24 24 204 122 122 205 415 415 206 89 89 207 42 42 208 3 3 209 3 3 210 8 8 211 1 1 212 2 2 213 1 1 214 6 6 215 7 7 216 18 18 217 284 284 218 53 53 219 12 12 220 4 4 221 24 24 222 6 6 223 3 3 225 1 1 226 2 2 227 1 1 228 6 6 229 53 53 230 15 15 231 30 30 232 6 6 233 7 7 234 7 7 235 1 1 237 2 2 238 1 1 239 1 1 242 3 3 243 10 10 244 4 4 245 5 5 246 10 10 247 3 3 248 3 3 249 1 1 252 1 1 254 2 2 255 1 1 256 2 2 257 1 1 258 2 2 259 3 3 260 4 4 261 2 2 262 8 8 263 2 2 264 1 1 268 5 5 269 2 2 270 2 2 271 2 2 273 1 1 274 7 7 275 2 2 276 1 1 277 9 9 278 5 5 279 1 1 280 2 2 290 1 1 291 21 21 292 5 5 293 1 1 300 2 2 302 4 4 303 1 1 304 2 2 305 18 18 306 5 5 307 13 13 308 3 3 314 1 1 316 1 1 317 1 1 318 13 13 319 308 308 320 66 66 321 29 29 322 3 3 323 3 3 329 1 1 331 1 1 332 3 3 333 3 3 342 3 3 343 1 1 344 9 9 345 5 5 359 2 2 360 1 1 362 1 1 364 9 9 366 1 1 374 3 3 376 4 4 377 1 1 390 1 1 432 1 1 435 1 1 466 1 1 //

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