MassBank Record: MSBNK-Kazusa-KZ000129
ACCESSION: MSBNK-Kazusa-KZ000129
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:191
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_04967_P000051
CH$NAME: D-(+)-Trehalose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C12H22O11
CH$EXACT_MASS: 342.11621
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)2
CH$IUPAC: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
CH$LINK: CAS
99-20-7
CH$LINK: KEGG
C01083
CH$LINK: INCHIKEY
HDTRYLNUVZCQOY-LIZSDCNHSA-N
CH$LINK: COMPTOX
DTXSID3048102
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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1135.91 sec
MS$FOCUSED_ION: BASE_PEAK 191
MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0wmm-0953000000-b74403fa3ce6ce0339eb
PK$NUM_PEAK: 280
PK$PEAK: m/z int. rel.int.
82 5 5
83 11 11
85 21 21
86 1 1
87 14 14
88 3 3
89 33 33
90 2 2
91 1 1
97 7 7
98 2 2
99 15 15
100 2 2
101 52 52
102 14 14
103 957 957
104 80 80
105 26 26
106 1 1
109 18 18
110 2 2
111 2 2
112 1 1
113 32 32
114 10 10
115 9 9
116 19 19
117 150 150
118 18 18
119 11 11
120 2 2
121 1 1
122 1 1
123 1 1
124 1 1
125 2 2
126 2 2
127 17 17
128 6 6
129 533 533
130 62 62
131 76 76
132 11 11
133 24 24
134 7 7
135 3 3
136 1 1
137 1 1
138 1 1
139 7 7
140 3 3
141 15 15
142 19 19
143 78 78
144 13 13
145 30 30
146 6 6
147 811 811
148 112 112
149 57 57
150 8 8
151 1 1
152 1 1
153 3 3
154 3 3
155 36 36
156 10 10
157 44 44
158 9 9
159 8 8
160 3 3
161 9 9
162 2 2
163 10 10
164 3 3
165 1 1
166 1 1
167 3 3
168 2 2
169 243 243
170 41 41
171 21 21
172 4 4
173 11 11
174 3 3
175 5 5
176 3 3
177 3 3
178 2 2
179 1 1
180 1 1
181 4 4
182 1 1
183 9 9
184 2 2
185 3 3
186 2 2
187 9 9
188 3 3
189 101 101
190 31 31
191 999 999
192 156 156
193 69 69
194 9 9
195 4 4
196 2 2
197 2 2
198 2 2
199 12 12
200 4 4
201 7 7
202 8 8
203 33 33
204 323 323
205 146 146
206 47 47
207 21 21
208 5 5
209 2 2
210 1 1
211 1 1
212 1 1
213 2 2
214 1 1
215 17 17
216 7 7
217 778 778
218 171 171
219 83 83
220 14 14
221 35 35
222 10 10
223 6 6
224 2 2
225 1 1
226 1 1
227 8 8
228 7 7
229 69 69
230 35 35
231 50 50
232 14 14
233 36 36
234 15 15
235 6 6
236 2 2
237 1 1
238 1 1
239 2 2
240 1 1
241 25 25
242 11 11
243 190 190
244 77 77
245 67 67
246 17 17
247 19 19
248 5 5
249 3 3
250 1 1
251 1 1
252 1 1
253 1 1
254 1 1
255 7 7
256 4 4
257 21 21
258 7 7
259 23 23
260 7 7
261 4 4
262 2 2
263 27 27
264 7 7
265 16 16
266 4 4
267 2 2
268 1 1
269 1 1
270 3 3
271 237 237
272 65 65
273 33 33
274 7 7
275 3 3
276 1 1
277 2 2
278 3 3
279 8 8
280 3 3
281 1 1
283 1 1
285 1 1
287 5 5
288 2 2
289 5 5
290 9 9
291 26 26
292 12 12
293 7 7
294 2 2
295 1 1
296 1 1
301 1 1
302 1 1
303 2 2
304 7 7
305 31 31
306 20 20
307 11 11
308 4 4
309 2 2
310 1 1
312 1 1
313 1 1
314 1 1
315 1 1
316 1 1
317 11 11
318 14 14
319 81 81
320 47 47
321 20 20
322 7 7
323 3 3
324 1 1
325 1 1
329 1 1
330 5 5
331 51 51
332 47 47
333 25 25
334 10 10
335 3 3
336 1 1
337 1 1
344 1 1
345 4 4
346 6 6
347 2 2
348 1 1
349 1 1
350 1 1
359 1 1
361 889 889
362 324 324
363 169 169
364 45 45
365 12 12
366 2 2
367 1 1
373 2 2
377 12 12
378 4 4
379 4 4
380 1 1
393 2 2
394 1 1
395 1 1
405 1 1
406 1 1
407 2 2
408 1 1
409 1 1
435 17 17
436 9 9
437 5 5
438 2 2
450 3 3
451 24 24
452 11 11
453 6 6
454 1 1
463 10 10
464 5 5
465 4 4
466 2 2
467 2 2
475 1 1
//
