MassBank Record: PR010071



 Maltotriose; GC-EI-TOF; MS; 11 TMS; 1 MEOX; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010071
RECORD_TITLE: Maltotriose; GC-EI-TOF; MS; 11 TMS; 1 MEOX; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Maltotriose CH$NAME: Amylotriose 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: NIKKAJI J208.710C CH$LINK: PUBCHEM 4954
AC$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: RETENTION_INDEX 3532.2 AC$CHROMATOGRAPHY: RETENTION_TIME 786.789 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C52H123NO16Si11 MS$FOCUSED_ION: DERIVATIVE_MASS 1325.63038 MS$FOCUSED_ION: DERIVATIVE_TYPE 11 TMS; 1 MEOX MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fk9-9871000000-3de822f1f079a12db963 PK$NUM_PEAK: 231 PK$PEAK: m/z int. rel.int. 60 5 5 61 6 6 65 1 1 66 7 7 67 7 7 68 1 1 69 31 31 70 6 6 71 4 4 72 10 10 73 999 999 74 80 80 75 81 81 76 6 6 77 8 8 80 1 1 81 26 26 82 5 5 83 7 7 84 3 3 85 6 6 86 2 2 87 3 3 88 2 2 89 41 41 90 4 4 91 3 3 92 1 1 93 1 1 94 1 1 95 1 1 97 10 10 98 2 2 99 5 5 100 10 10 101 15 15 102 9 9 103 164 164 104 15 15 105 18 18 106 3 3 107 1 1 109 10 10 110 1 1 111 3 3 113 6 6 114 5 5 115 7 7 116 9 9 117 89 89 118 8 8 119 5 5 123 1 1 125 2 2 127 6 6 128 2 2 129 115 115 130 18 18 131 21 21 132 4 4 133 40 40 134 6 6 135 3 3 139 4 4 141 5 5 142 8 8 143 23 23 144 3 3 145 8 8 146 2 2 147 192 192 148 29 29 149 24 24 150 3 3 151 1 1 152 1 1 153 3 3 154 1 1 155 19 19 156 5 5 157 25 25 158 5 5 159 4 4 160 42 42 161 9 9 162 2 2 163 7 7 164 1 1 167 3 3 168 3 3 169 81 81 170 14 14 171 9 9 172 3 3 173 8 8 174 2 2 175 3 3 176 1 1 177 3 3 180 1 1 181 2 2 183 7 7 184 1 1 185 3 3 186 3 3 187 2 2 188 2 2 189 26 26 190 7 7 191 55 55 192 8 8 193 4 4 195 3 3 196 2 2 197 1 1 198 2 2 199 6 6 200 2 2 201 3 3 202 1 1 203 10 10 204 440 440 205 128 128 206 46 46 207 8 8 208 1 1 210 4 4 211 2 2 214 1 1 215 4 4 216 6 6 217 131 131 218 31 31 219 14 14 220 3 3 221 4 4 222 1 1 223 3 3 227 2 2 228 1 1 229 7 7 230 7 7 231 20 20 232 6 6 233 7 7 234 2 2 240 1 1 241 4 4 242 3 3 243 34 34 244 11 11 245 11 11 246 4 4 247 3 3 255 2 2 256 3 3 257 7 7 258 2 2 259 5 5 260 1 1 262 1 1 268 1 1 269 3 3 270 3 3 271 56 56 272 13 13 273 9 9 274 2 2 275 2 2 276 1 1 283 1 1 285 1 1 288 1 1 289 3 3 290 1 1 291 3 3 292 1 1 293 1 1 297 1 1 298 1 1 300 4 4 301 2 2 303 1 1 305 6 6 306 2 2 307 2 2 316 1 1 317 2 2 318 2 2 319 14 14 320 3 3 321 2 2 322 1 1 331 6 6 332 4 4 333 1 1 343 1 1 345 2 2 359 2 2 360 10 10 361 133 133 362 45 45 363 22 22 364 4 4 365 2 2 373 1 1 378 1 1 389 1 1 390 1 1 394 1 1 451 6 6 452 2 2 453 1 1 479 1 1 480 6 6 481 3 3 482 1 1 510 1 1 521 1 1 537 1 1 538 1 1 570 1 1 573 1 1 598 1 1 599 1 1 608 1 1 696 1 1 709 1 1 742 1 1 752 1 1 776 1 1 //