MassBank Record: KZ000243



 Maltotriose; GC-EI-TOF; MS; 11 TMS; BP:204 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000243
RECORD_TITLE: Maltotriose; GC-EI-TOF; MS; 11 TMS; BP:204
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_01591_P000138

CH$NAME: Maltotriose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C18H32O16 CH$EXACT_MASS: 504.16903 CH$SMILES: OCC(O1)C(O)C(O)C(O)C1OC(C(CO)3)C(O)C(O)C(O3)OC(C(CO)2)C(O)C(O)C(O)O2 CH$IUPAC: InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 CH$LINK: CAS 1109-28-0 CH$LINK: KEGG C01835 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 3342.6 AC$CHROMATOGRAPHY: RETENTION_TIME 1353.28 sec
MS$FOCUSED_ION: BASE_PEAK 204 MS$FOCUSED_ION: DERIVATIVE_TYPE 11 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0uxr-0961000000-f2a522371c62148c925c PK$NUM_PEAK: 251 PK$PEAK: m/z int. rel.int. 82 10 10 83 15 15 84 6 6 85 20 20 86 7 7 87 16 16 88 11 11 89 125 125 90 11 11 91 8 8 92 1 1 93 3 3 94 2 2 95 6 6 96 3 3 97 34 34 98 4 4 99 20 20 100 42 42 101 72 72 102 27 27 103 597 597 104 57 57 105 48 48 106 8 8 107 3 3 108 2 2 109 30 30 110 4 4 111 21 21 112 4 4 113 20 20 114 10 10 115 22 22 116 38 38 117 268 268 118 28 28 119 24 24 120 3 3 121 2 2 123 3 3 124 1 1 125 6 6 126 4 4 127 17 17 128 8 8 129 319 319 130 47 47 131 68 68 132 12 12 133 118 118 134 16 16 135 11 11 136 1 1 137 1 1 138 2 2 139 9 9 140 3 3 141 14 14 142 19 19 143 64 64 144 9 9 145 22 22 146 5 5 147 567 567 148 94 94 149 70 70 150 9 9 151 8 8 152 3 3 153 14 14 154 6 6 155 52 52 156 12 12 157 67 67 158 12 12 159 14 14 160 89 89 161 21 21 162 7 7 163 21 21 164 3 3 165 3 3 166 1 1 167 9 9 168 4 4 169 222 222 170 36 36 171 25 25 172 8 8 173 18 18 174 5 5 175 11 11 176 2 2 177 14 14 178 5 5 179 4 4 180 3 3 181 5 5 182 4 4 183 20 20 184 4 4 185 7 7 186 7 7 187 6 6 188 3 3 189 76 76 190 21 21 191 143 143 192 26 26 193 13 13 194 2 2 195 7 7 196 4 4 197 5 5 198 2 2 199 15 15 200 4 4 201 8 8 202 3 3 203 25 25 204 999 999 205 320 320 206 112 112 207 29 29 208 5 5 209 2 2 210 4 4 211 3 3 212 1 1 213 2 2 214 2 2 215 11 11 216 6 6 217 322 322 218 76 76 219 38 38 220 7 7 221 17 17 222 4 4 223 6 6 224 1 1 225 1 1 227 5 5 228 3 3 229 20 20 230 20 20 231 43 43 232 14 14 233 24 24 234 6 6 235 9 9 236 1 1 237 2 2 239 1 1 240 1 1 241 8 8 242 5 5 243 97 97 244 28 28 245 24 24 246 9 9 247 11 11 248 3 3 249 1 1 254 1 1 255 3 3 256 3 3 257 15 15 258 5 5 259 16 16 260 5 5 261 3 3 262 2 2 263 2 2 265 3 3 267 1 1 268 6 6 269 4 4 270 9 9 271 152 152 272 38 38 273 31 31 274 9 9 275 6 6 276 1 1 277 2 2 278 1 1 279 1 1 283 1 1 285 2 2 286 1 1 287 2 2 288 2 2 289 7 7 290 3 3 291 8 8 292 3 3 293 2 2 297 1 1 299 1 1 300 14 14 301 4 4 302 2 2 303 2 2 304 4 4 305 17 17 306 7 7 307 6 6 308 1 1 309 1 1 313 2 2 315 1 1 317 9 9 318 7 7 319 32 32 320 10 10 321 5 5 322 1 1 330 1 1 331 16 16 332 10 10 333 5 5 334 2 2 335 1 1 337 1 1 345 4 4 346 1 1 347 2 2 348 1 1 358 1 1 359 6 6 360 52 52 361 348 348 362 122 122 363 59 59 364 13 13 365 4 4 376 1 1 379 1 1 389 1 1 390 7 7 391 2 2 392 1 1 393 1 1 421 1 1 450 3 3 451 10 10 452 5 5 453 2 2 480 1 1 //

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