MassBank Record: MSBNK-Osaka_Univ-OUF00343
ACCESSION: MSBNK-Osaka_Univ-OUF00343
RECORD_TITLE: Maltotriose; GC-EI-TOF; MS; n TMS; RT:1250.265 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$CHROMATOGRAPHY: RETENTION_INDEX 3566.585
AC$CHROMATOGRAPHY: RETENTION_TIME 1250.265 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0udj-0972000000-4b10e9ea754fa393dc86
PK$NUM_PEAK: 181
PK$PEAK: m/z int. rel.int.
87 59 59
88 37 37
89 107 107
90 19 19
91 49 49
95 3 3
99 19 19
100 55 55
101 80 80
102 61 61
103 349 349
104 27 27
105 33 33
109 52 52
110 43 43
111 8 8
112 16 16
114 8 8
115 2 2
116 54 54
117 232 232
118 50 50
119 61 61
128 3 3
129 189 189
130 15 15
131 68 68
132 10 10
133 153 153
136 12 12
137 4 4
143 105 105
145 74 74
147 755 755
148 54 54
149 52 52
150 34 34
152 40 40
155 3 3
157 36 36
158 29 29
160 97 97
161 5 5
164 21 21
165 15 15
166 11 11
168 29 29
169 133 133
171 156 156
172 60 60
173 6 6
174 11 11
178 1 1
180 8 8
182 19 19
183 17 17
187 25 25
188 10 10
189 48 48
190 5 5
191 203 203
195 2 2
198 14 14
199 17 17
200 58 58
202 30 30
203 17 17
204 999 999
205 327 327
206 123 123
208 12 12
209 34 34
212 5 5
213 21 21
217 373 373
218 20 20
219 93 93
221 26 26
226 5 5
228 12 12
229 51 51
230 31 31
231 75 75
232 36 36
233 72 72
235 25 25
238 8 8
239 12 12
241 2 2
244 68 68
245 41 41
246 11 11
247 47 47
250 1 1
251 28 28
255 8 8
257 52 52
258 23 23
259 8 8
260 1 1
267 5 5
268 18 18
270 20 20
271 136 136
272 45 45
275 15 15
276 16 16
277 30 30
282 11 11
283 10 10
287 12 12
288 11 11
289 11 11
292 12 12
293 15 15
297 13 13
299 34 34
302 5 5
304 17 17
305 41 41
308 11 11
314 11 11
316 1 1
319 49 49
321 23 23
322 23 23
327 21 21
329 43 43
330 2 2
331 15 15
332 37 37
333 24 24
334 31 31
335 12 12
336 18 18
338 24 24
347 2 2
358 37 37
360 73 73
361 286 286
362 168 168
363 23 23
364 19 19
374 4 4
376 15 15
377 11 11
385 7 7
390 20 20
391 41 41
393 16 16
399 25 25
401 17 17
402 9 9
407 3 3
409 14 14
414 18 18
421 14 14
422 1 1
423 11 11
424 8 8
429 25 25
430 1 1
441 3 3
448 3 3
449 12 12
450 29 29
453 48 48
455 2 2
458 13 13
459 3 3
460 39 39
462 12 12
463 13 13
464 1 1
466 8 8
468 29 29
471 14 14
479 2 2
480 1 1
495 4 4
497 1 1
//