MassBank Record: MSBNK-Osaka_Univ-OUF00342
ACCESSION: MSBNK-Osaka_Univ-OUF00342
RECORD_TITLE: Maltotriose; GC-EI-TOF; MS; n TMS; RT:1236.537 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
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: CHEMSPIDER
83192
CH$LINK: PUBCHEM 92146
CH$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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 3528.767
AC$CHROMATOGRAPHY: RETENTION_TIME 1236.537 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0uxr-0972000000-ea64ef22a740ff6d7271
PK$NUM_PEAK: 276
PK$PEAK: m/z int. rel.int.
85 17 17
86 9 9
87 15 15
88 11 11
89 93 93
90 11 11
91 8 8
92 1 1
93 3 3
94 5 5
95 7 7
96 3 3
97 30 30
98 7 7
99 19 19
100 31 31
101 56 56
102 22 22
103 402 402
104 43 43
105 49 49
106 6 6
107 4 4
108 2 2
109 29 29
110 4 4
111 14 14
112 5 5
113 19 19
114 16 16
115 21 21
116 31 31
117 245 245
118 28 28
119 21 21
120 2 2
121 3 3
122 1 1
123 4 4
124 2 2
125 5 5
126 4 4
127 15 15
128 14 14
129 305 305
130 48 48
131 59 59
132 13 13
133 115 115
134 17 17
135 11 11
136 1 1
137 2 2
138 3 3
139 11 11
140 4 4
141 12 12
142 23 23
143 65 65
144 10 10
145 27 27
146 6 6
147 520 520
148 89 89
149 65 65
150 11 11
151 8 8
152 4 4
153 12 12
154 8 8
155 48 48
156 13 13
157 68 68
158 16 16
159 14 14
160 118 118
161 23 23
162 8 8
163 19 19
164 6 6
165 3 3
166 2 2
167 9 9
168 9 9
169 210 210
170 34 34
171 25 25
173 21 21
174 9 9
175 13 13
176 3 3
177 10 10
178 3 3
179 5 5
180 4 4
181 7 7
182 5 5
183 22 22
184 6 6
185 7 7
186 8 8
187 7 7
188 3 3
189 73 73
190 26 26
191 145 145
192 28 28
193 13 13
194 4 4
195 9 9
196 5 5
197 4 4
198 7 7
199 19 19
200 6 6
201 7 7
202 5 5
203 25 25
204 999 999
205 320 320
206 111 111
207 32 32
208 7 7
209 3 3
210 17 17
211 6 6
212 3 3
213 2 2
214 2 2
215 13 13
216 19 19
217 350 350
218 84 84
219 42 42
220 9 9
221 19 19
222 5 5
223 9 9
224 2 2
225 1 1
226 1 1
227 6 6
228 4 4
229 23 23
230 23 23
231 50 50
232 19 19
233 19 19
234 10 10
235 5 5
236 1 1
237 2 2
238 1 1
239 1 1
240 3 3
241 12 12
242 9 9
243 87 87
244 33 33
245 26 26
246 16 16
247 13 13
248 5 5
249 2 2
250 1 1
253 1 1
254 1 1
255 6 6
256 9 9
257 20 20
258 7 7
259 14 14
260 5 5
261 4 4
262 5 5
263 4 4
264 1 1
265 4 4
266 1 1
267 1 1
268 1 1
269 9 9
270 7 7
271 164 164
272 42 42
273 31 31
274 13 13
275 8 8
276 5 5
277 4 4
278 2 2
279 1 1
283 2 2
284 1 1
285 5 5
286 3 3
287 2 2
288 4 4
289 12 12
290 4 4
291 11 11
292 4 4
293 4 4
294 1 1
297 1 1
298 1 1
299 1 1
300 14 14
301 5 5
302 2 2
303 2 2
304 4 4
305 19 19
306 10 10
307 10 10
308 2 2
309 1 1
313 5 5
314 1 1
316 1 1
317 14 14
318 11 11
319 41 41
320 21 21
321 10 10
322 2 2
323 1 1
324 1 1
330 1 1
331 19 19
332 14 14
333 10 10
334 4 4
335 1 1
336 1 1
343 1 1
344 2 2
345 5 5
346 4 4
347 3 3
358 3 3
359 7 7
360 20 20
361 419 419
362 164 164
363 77 77
364 21 21
365 9 9
366 2 2
373 1 1
374 2 2
376 1 1
377 1 1
378 1 1
390 4 4
391 2 2
392 1 1
394 1 1
403 1 1
407 1 1
435 1 1
436 1 1
450 4 4
451 19 19
452 12 12
453 7 7
454 1 1
464 1 1
465 1 1
478 1 1
479 4 4
480 15 15
481 13 13
482 5 5
483 1 1
490 1 1
//