MassBank Record: MSBNK-Kazusa-KZ000242
ACCESSION: MSBNK-Kazusa-KZ000242
RECORD_TITLE: Maltotriose; GC-EI-TOF; MS; 11 TMS; BP:204
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//
system version 2.2.6-SNAPSHOT
