MassBank Record: MSBNK-Kazusa-KZ000127
ACCESSION: MSBNK-Kazusa-KZ000127
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:147
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_04929_P000047
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$CHROMATOGRAPHY: RETENTION_TIME 2397.32 sec
MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0wos-0921000000-68fb82f427417ec703a0
PK$NUM_PEAK: 269
PK$PEAK: m/z int. rel.int.
82 9 9
83 21 21
85 28 28
86 4 4
87 26 26
88 7 7
89 74 74
90 7 7
91 6 6
92 1 1
93 2 2
94 1 1
95 7 7
96 2 2
97 14 14
98 4 4
99 25 25
100 4 4
101 67 67
102 18 18
103 913 913
104 98 98
105 46 46
106 3 3
107 2 2
108 1 1
109 58 58
110 5 5
111 26 26
112 4 4
113 50 50
114 12 12
115 30 30
116 42 42
117 259 259
118 31 31
119 31 31
120 3 3
121 2 2
123 2 2
124 1 1
125 6 6
126 3 3
127 22 22
128 7 7
129 660 660
130 91 91
131 150 150
132 25 25
133 188 188
134 28 28
135 20 20
136 2 2
137 2 2
139 21 21
140 5 5
141 21 21
142 16 16
143 90 90
144 13 13
145 26 26
146 6 6
147 999 999
148 182 182
149 132 132
150 18 18
151 11 11
152 2 2
153 26 26
154 7 7
155 112 112
156 20 20
157 85 85
158 12 12
159 17 17
160 3 3
161 9 9
162 2 2
163 20 20
164 4 4
165 2 2
166 1 1
167 5 5
168 2 2
169 423 423
170 75 75
171 41 41
172 6 6
173 26 26
174 5 5
175 16 16
176 4 4
177 16 16
178 3 3
179 2 2
180 1 1
181 9 9
182 3 3
183 25 25
184 4 4
185 6 6
186 1 1
187 6 6
188 1 1
189 108 108
190 28 28
191 557 557
192 120 120
193 61 61
194 9 9
195 3 3
196 1 1
197 2 2
198 1 1
199 13 13
200 3 3
201 8 8
202 5 5
203 43 43
204 203 203
205 106 106
206 36 36
207 20 20
208 4 4
209 2 2
211 2 2
212 1 1
213 2 2
214 1 1
215 13 13
216 8 8
217 345 345
218 110 110
219 51 51
220 10 10
221 30 30
222 8 8
223 5 5
224 1 1
225 1 1
227 15 15
228 6 6
229 39 39
230 18 18
231 29 29
232 9 9
233 18 18
234 6 6
235 3 3
236 1 1
237 1 1
238 1 1
239 3 3
240 1 1
241 14 14
242 11 11
243 168 168
244 44 44
245 38 38
246 10 10
247 9 9
248 3 3
249 1 1
250 1 1
251 1 1
252 1 1
253 1 1
254 1 1
255 6 6
256 4 4
257 11 11
258 4 4
259 10 10
260 3 3
261 2 2
262 2 2
263 7 7
264 3 3
265 5 5
266 2 2
267 1 1
268 1 1
269 1 1
270 14 14
271 146 146
272 38 38
273 21 21
274 5 5
275 2 2
276 1 1
277 2 2
278 2 2
279 5 5
280 2 2
281 1 1
283 1 1
284 1 1
285 1 1
286 1 1
287 4 4
288 2 2
289 4 4
290 7 7
291 19 19
292 7 7
293 5 5
294 1 1
295 1 1
296 1 1
297 1 1
298 1 1
300 1 1
301 1 1
302 1 1
303 2 2
304 7 7
305 17 17
306 7 7
307 4 4
308 1 1
309 1 1
310 1 1
311 1 1
312 1 1
313 1 1
314 1 1
315 1 1
316 2 2
317 7 7
318 13 13
319 33 33
320 12 12
321 6 6
322 2 2
323 1 1
329 1 1
330 12 12
331 45 45
332 25 25
333 11 11
334 3 3
335 1 1
343 1 1
344 2 2
345 12 12
346 4 4
347 3 3
348 1 1
349 2 2
350 1 1
359 2 2
360 98 98
361 619 619
362 213 213
363 109 109
364 26 26
365 7 7
366 1 1
373 1 1
376 2 2
377 4 4
378 2 2
379 2 2
380 1 1
434 3 3
435 1 1
436 1 1
450 2 2
462 1 1
//
