MassBank Record: MSBNK-RIKEN-PR010072
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
//