MassBank Record: MSBNK-RIKEN-PR010071
ACCESSION: MSBNK-RIKEN-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$LINK: PUBCHEM 4954
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 3532.2
AC$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
//