MassBank Record: MSBNK-Kazusa-KZ000243
ACCESSION: MSBNK-Kazusa-KZ000243
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_P000138
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$CHROMATOGRAPHY: RETENTION_INDEX 3342.6
AC$CHROMATOGRAPHY: RETENTION_TIME 1353.28 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-f2a522371c62148c925c
PK$NUM_PEAK: 251
PK$PEAK: m/z int. rel.int.
82 10 10
83 15 15
84 6 6
85 20 20
86 7 7
87 16 16
88 11 11
89 125 125
90 11 11
91 8 8
92 1 1
93 3 3
94 2 2
95 6 6
96 3 3
97 34 34
98 4 4
99 20 20
100 42 42
101 72 72
102 27 27
103 597 597
104 57 57
105 48 48
106 8 8
107 3 3
108 2 2
109 30 30
110 4 4
111 21 21
112 4 4
113 20 20
114 10 10
115 22 22
116 38 38
117 268 268
118 28 28
119 24 24
120 3 3
121 2 2
123 3 3
124 1 1
125 6 6
126 4 4
127 17 17
128 8 8
129 319 319
130 47 47
131 68 68
132 12 12
133 118 118
134 16 16
135 11 11
136 1 1
137 1 1
138 2 2
139 9 9
140 3 3
141 14 14
142 19 19
143 64 64
144 9 9
145 22 22
146 5 5
147 567 567
148 94 94
149 70 70
150 9 9
151 8 8
152 3 3
153 14 14
154 6 6
155 52 52
156 12 12
157 67 67
158 12 12
159 14 14
160 89 89
161 21 21
162 7 7
163 21 21
164 3 3
165 3 3
166 1 1
167 9 9
168 4 4
169 222 222
170 36 36
171 25 25
172 8 8
173 18 18
174 5 5
175 11 11
176 2 2
177 14 14
178 5 5
179 4 4
180 3 3
181 5 5
182 4 4
183 20 20
184 4 4
185 7 7
186 7 7
187 6 6
188 3 3
189 76 76
190 21 21
191 143 143
192 26 26
193 13 13
194 2 2
195 7 7
196 4 4
197 5 5
198 2 2
199 15 15
200 4 4
201 8 8
202 3 3
203 25 25
204 999 999
205 320 320
206 112 112
207 29 29
208 5 5
209 2 2
210 4 4
211 3 3
212 1 1
213 2 2
214 2 2
215 11 11
216 6 6
217 322 322
218 76 76
219 38 38
220 7 7
221 17 17
222 4 4
223 6 6
224 1 1
225 1 1
227 5 5
228 3 3
229 20 20
230 20 20
231 43 43
232 14 14
233 24 24
234 6 6
235 9 9
236 1 1
237 2 2
239 1 1
240 1 1
241 8 8
242 5 5
243 97 97
244 28 28
245 24 24
246 9 9
247 11 11
248 3 3
249 1 1
254 1 1
255 3 3
256 3 3
257 15 15
258 5 5
259 16 16
260 5 5
261 3 3
262 2 2
263 2 2
265 3 3
267 1 1
268 6 6
269 4 4
270 9 9
271 152 152
272 38 38
273 31 31
274 9 9
275 6 6
276 1 1
277 2 2
278 1 1
279 1 1
283 1 1
285 2 2
286 1 1
287 2 2
288 2 2
289 7 7
290 3 3
291 8 8
292 3 3
293 2 2
297 1 1
299 1 1
300 14 14
301 4 4
302 2 2
303 2 2
304 4 4
305 17 17
306 7 7
307 6 6
308 1 1
309 1 1
313 2 2
315 1 1
317 9 9
318 7 7
319 32 32
320 10 10
321 5 5
322 1 1
330 1 1
331 16 16
332 10 10
333 5 5
334 2 2
335 1 1
337 1 1
345 4 4
346 1 1
347 2 2
348 1 1
358 1 1
359 6 6
360 52 52
361 348 348
362 122 122
363 59 59
364 13 13
365 4 4
376 1 1
379 1 1
389 1 1
390 7 7
391 2 2
392 1 1
393 1 1
421 1 1
450 3 3
451 10 10
452 5 5
453 2 2
480 1 1
//