MassBank Record: KZ000242



 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: KZ000242
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_P000137

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$CHROMATOGRAPHY: RETENTION_INDEX 3304.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1338.93 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-eedb43ec0d980ce3b6dc PK$NUM_PEAK: 275 PK$PEAK: m/z int. rel.int. 82 12 12 83 16 16 84 9 9 85 22 22 86 10 10 87 18 18 88 11 11 89 124 124 90 12 12 91 8 8 92 2 2 93 3 3 94 3 3 95 7 7 96 4 4 97 31 31 98 5 5 99 22 22 100 35 35 101 77 77 102 30 30 103 454 454 104 47 47 105 59 59 106 7 7 107 4 4 108 2 2 109 30 30 110 5 5 111 20 20 112 5 5 113 21 21 114 16 16 115 25 25 116 39 39 117 265 265 118 29 29 119 22 22 120 2 2 121 2 2 122 1 1 123 4 4 124 2 2 125 6 6 126 5 5 127 18 18 128 11 11 129 318 318 130 53 53 131 71 71 132 12 12 133 126 126 134 17 17 135 12 12 136 2 2 137 2 2 138 2 2 139 9 9 140 4 4 141 13 13 142 22 22 143 65 65 144 10 10 145 24 24 146 4 4 147 582 582 148 97 97 149 71 71 150 9 9 151 8 8 152 5 5 153 15 15 154 7 7 155 54 54 156 13 13 157 68 68 158 15 15 159 12 12 160 111 111 161 23 23 162 7 7 163 22 22 164 4 4 165 3 3 166 2 2 167 8 8 168 6 6 169 207 207 170 37 37 171 25 25 172 8 8 173 17 17 174 7 7 175 10 10 176 2 2 177 9 9 178 2 2 179 3 3 180 3 3 181 6 6 182 4 4 183 20 20 184 4 4 185 6 6 186 6 6 187 5 5 188 3 3 189 71 71 190 19 19 191 134 134 192 25 25 193 12 12 194 2 2 195 6 6 196 5 5 197 5 5 198 5 5 199 14 14 200 4 4 201 7 7 202 3 3 203 25 25 204 999 999 205 312 312 206 112 112 207 28 28 208 5 5 209 2 2 210 15 15 211 5 5 212 2 2 213 2 2 214 2 2 215 12 12 216 14 14 217 320 320 218 78 78 219 39 39 220 7 7 221 17 17 222 4 4 223 7 7 224 1 1 225 1 1 226 1 1 227 6 6 228 4 4 229 21 21 230 20 20 231 53 53 232 16 16 233 17 17 234 6 6 235 3 3 236 1 1 237 1 1 239 1 1 240 3 3 241 9 9 242 7 7 243 98 98 244 32 32 245 27 27 246 12 12 247 11 11 248 3 3 249 1 1 253 1 1 254 2 2 255 5 5 256 6 6 257 16 16 258 5 5 259 15 15 260 5 5 261 3 3 262 5 5 263 3 3 264 1 1 265 3 3 266 1 1 267 1 1 268 4 4 269 8 8 270 8 8 271 145 145 272 38 38 273 25 25 274 8 8 275 5 5 276 4 4 277 2 2 278 2 2 279 1 1 283 2 2 284 1 1 285 3 3 286 2 2 287 2 2 288 2 2 289 8 8 290 3 3 291 9 9 292 3 3 293 2 2 294 1 1 297 1 1 299 1 1 300 12 12 301 3 3 302 2 2 303 2 2 304 3 3 305 20 20 306 7 7 307 7 7 308 2 2 309 1 1 313 2 2 314 1 1 315 1 1 316 1 1 317 10 10 318 8 8 319 34 34 320 11 11 321 6 6 322 1 1 330 2 2 331 15 15 332 10 10 333 6 6 334 2 2 335 1 1 337 1 1 343 2 2 344 1 1 345 4 4 346 2 2 347 2 2 358 2 2 359 7 7 360 37 37 361 355 355 362 124 124 363 60 60 364 14 14 365 5 5 366 1 1 373 1 1 374 1 1 376 1 1 377 1 1 379 1 1 389 1 1 390 3 3 391 1 1 392 1 1 403 1 1 435 1 1 436 1 1 448 1 1 449 1 1 450 4 4 451 11 11 452 5 5 453 3 3 454 1 1 464 1 1 478 1 1 479 5 5 480 15 15 481 9 9 482 4 4 483 1 1 //

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