ACCESSION: MSBNK-RIKEN-PR010072
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$LINK: PUBCHEM 4954
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 3573.2
AC$CHROMATOGRAPHY: RETENTION_TIME 800.484 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$SPLASH: splash10-0fk9-9872000000-b2e2130ce45ac4ccf4ae
PK$NUM_PEAK: 370
PK$PEAK: m/z int. rel.int.
  60 3 3
  61 4 4
  62 3 3
  65 4 4
  66 6 6
  67 7 7
  68 4 4
  69 28 28
  70 1 1
  72 10 10
  73 999 999
  74 79 79
  75 62 62
  76 6 6
  81 23 23
  82 10 10
  83 11 11
  84 5 5
  85 4 4
  86 2 2
  87 3 3
  88 3 3
  89 34 34
  90 7 7
  91 6 6
  92 1 1
  94 4 4
  97 16 16
  98 5 5
  99 5 5
  100 14 14
  101 13 13
  102 9 9
  103 208 208
  104 21 21
  105 15 15
  106 4 4
  107 3 3
  108 4 4
  109 8 8
  110 4 4
  111 2 2
  112 2 2
  113 4 4
  114 3 3
  115 6 6
  116 8 8
  117 90 90
  118 6 6
  119 9 9
  121 2 2
  122 2 2
  124 2 2
  125 1 1
  127 5 5
  128 4 4
  129 112 112
  130 12 12
  131 19 19
  132 1 1
  133 33 33
  134 4 4
  135 1 1
  136 3 3
  137 2 2
  141 3 3
  142 5 5
  143 24 24
  144 5 5
  145 9 9
  146 2 2
  147 171 171
  148 33 33
  149 22 22
  150 6 6
  151 3 3
  152 2 2
  153 6 6
  154 3 3
  155 20 20
  156 6 6
  157 23 23
  158 6 6
  159 3 3
  160 33 33
  161 6 6
  162 1 1
  163 7 7
  164 2 2
  165 2 2
  166 6 6
  167 2 2
  168 3 3
  169 86 86
  170 12 12
  171 6 6
  172 7 7
  173 6 6
  174 1 1
  175 3 3
  176 1 1
  178 3 3
  179 4 4
  180 4 4
  181 2 2
  182 4 4
  183 6 6
  184 2 2
  185 3 3
  186 3 3
  187 3 3
  188 2 2
  189 25 25
  190 5 5
  191 41 41
  192 7 7
  195 3 3
  196 2 2
  198 4 4
  199 4 4
  200 2 2
  201 5 5
  203 8 8
  204 415 415
  205 117 117
  206 44 44
  210 1 1
  211 2 2
  214 4 4
  215 4 4
  216 4 4
  217 125 125
  218 26 26
  219 16 16
  220 2 2
  221 2 2
  226 1 1
  228 3 3
  229 10 10
  230 10 10
  231 16 16
  232 6 6
  233 7 7
  234 5 5
  235 1 1
  238 1 1
  240 6 6
  241 3 3
  242 3 3
  243 31 31
  244 7 7
  245 11 11
  246 1 1
  247 4 4
  252 1 1
  254 2 2
  255 4 4
  256 2 2
  257 7 7
  259 7 7
  262 3 3
  266 1 1
  268 4 4
  269 2 2
  270 5 5
  271 60 60
  272 16 16
  273 13 13
  274 4 4
  276 2 2
  280 2 2
  282 2 2
  283 1 1
  284 2 2
  285 2 2
  288 2 2
  289 2 2
  290 1 1
  291 4 4
  292 1 1
  295 2 2
  296 4 4
  299 1 1
  300 6 6
  305 5 5
  306 1 1
  307 2 2
  311 3 3
  312 1 1
  315 3 3
  317 2 2
  318 2 2
  319 13 13
  320 4 4
  322 1 1
  326 2 2
  331 6 6
  332 1 1
  333 4 4
  337 1 1
  338 3 3
  339 1 1
  343 4 4
  344 1 1
  345 1 1
  346 4 4
  347 3 3
  348 4 4
  349 2 2
  352 3 3
  354 2 2
  355 2 2
  356 2 2
  357 6 6
  358 1 1
  359 4 4
  360 10 10
  361 126 126
  362 43 43
  363 22 22
  364 5 5
  370 2 2
  371 1 1
  375 3 3
  376 1 1
  377 3 3
  378 1 1
  380 1 1
  382 1 1
  387 3 3
  388 2 2
  389 2 2
  390 5 5
  391 1 1
  394 1 1
  395 5 5
  397 1 1
  398 2 2
  400 3 3
  407 1 1
  408 3 3
  424 2 2
  426 1 1
  428 1 1
  433 1 1
  437 1 1
  440 1 1
  441 3 3
  443 2 2
  446 1 1
  447 2 2
  448 1 1
  449 2 2
  450 3 3
  451 3 3
  452 3 3
  453 1 1
  460 2 2
  463 2 2
  464 3 3
  474 1 1
  475 2 2
  476 2 2
  478 1 1
  481 2 2
  484 1 1
  485 3 3
  488 1 1
  494 1 1
  498 1 1
  501 1 1
  503 1 1
  510 1 1
  513 2 2
  515 3 3
  517 1 1
  518 3 3
  519 3 3
  520 2 2
  523 3 3
  526 1 1
  530 2 2
  531 1 1
  534 1 1
  535 1 1
  536 1 1
  538 2 2
  539 2 2
  542 1 1
  547 1 1
  548 2 2
  549 3 3
  550 1 1
  552 4 4
  553 1 1
  554 3 3
  555 2 2
  558 2 2
  560 2 2
  563 2 2
  567 1 1
  569 1 1
  570 3 3
  572 1 1
  573 1 1
  574 3 3
  575 1 1
  578 1 1
  579 2 2
  582 1 1
  590 1 1
  592 1 1
  596 2 2
  598 3 3
  599 4 4
  601 2 2
  606 2 2
  610 1 1
  618 1 1
  626 1 1
  631 1 1
  635 1 1
  636 1 1
  641 1 1
  651 2 2
  653 1 1
  654 1 1
  657 3 3
  661 1 1
  664 3 3
  666 3 3
  668 2 2
  671 3 3
  672 1 1
  673 4 4
  674 1 1
  675 1 1
  676 3 3
  678 1 1
  679 1 1
  680 2 2
  681 1 1
  684 1 1
  687 2 2
  690 1 1
  694 1 1
  699 2 2
  707 1 1
  708 4 4
  709 4 4
  712 2 2
  717 1 1
  721 1 1
  729 3 3
  730 1 1
  733 2 2
  735 1 1
  749 2 2
  750 4 4
  751 2 2
  756 2 2
  765 1 1
  766 1 1
  769 1 1
  775 1 1
  777 1 1
  780 2 2
  793 2 2
  794 1 1
  797 2 2
//