MassBank Record: MSBNK-Kazusa-KZ000025
ACCESSION: MSBNK-Kazusa-KZ000025
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_01484_P000155
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 2597.7
AC$CHROMATOGRAPHY: RETENTION_TIME 1135.28 sec
MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0j4m-0932000000-8d7c80edd7f55e92ea29
PK$NUM_PEAK: 259
PK$PEAK: m/z int. rel.int.
82 7 7
83 17 17
84 4 4
85 26 26
86 4 4
87 22 22
88 7 7
89 59 59
90 6 6
91 5 5
92 1 1
93 2 2
94 2 2
95 6 6
96 2 2
97 12 12
98 4 4
99 25 25
100 4 4
101 76 76
102 17 17
103 738 738
104 73 73
105 33 33
106 2 2
107 2 2
108 1 1
109 36 36
110 3 3
111 22 22
112 4 4
113 40 40
114 10 10
115 28 28
116 39 39
117 208 208
118 23 23
119 24 24
120 3 3
121 2 2
123 1 1
124 1 1
125 6 6
126 2 2
127 21 21
128 7 7
129 544 544
130 70 70
131 120 120
132 20 20
133 159 159
134 23 23
135 17 17
136 2 2
137 2 2
138 1 1
139 15 15
140 4 4
141 19 19
142 20 20
143 91 91
144 13 13
145 29 29
146 6 6
147 999 999
148 160 160
149 121 121
150 15 15
151 10 10
152 2 2
153 18 18
154 6 6
155 87 87
156 16 16
157 74 74
158 11 11
159 16 16
160 3 3
161 10 10
162 2 2
163 19 19
164 3 3
165 2 2
166 1 1
167 5 5
168 2 2
169 343 343
170 59 59
171 35 35
172 5 5
173 23 23
174 5 5
175 15 15
176 3 3
177 16 16
178 3 3
179 2 2
180 1 1
181 7 7
182 3 3
183 24 24
184 4 4
185 7 7
186 2 2
187 8 8
188 2 2
189 136 136
190 34 34
191 763 763
192 139 139
193 64 64
194 8 8
195 3 3
196 1 1
197 3 3
198 1 1
199 14 14
200 3 3
201 9 9
202 6 6
203 48 48
204 305 305
205 132 132
206 42 42
207 26 26
208 5 5
209 3 3
211 2 2
213 2 2
214 1 1
215 20 20
216 8 8
217 577 577
218 151 151
219 68 68
220 12 12
221 38 38
222 9 9
223 5 5
224 1 1
225 1 1
227 14 14
228 5 5
229 48 48
230 26 26
231 42 42
232 12 12
233 26 26
234 9 9
235 4 4
236 1 1
237 1 1
239 2 2
240 1 1
241 18 18
242 9 9
243 184 184
244 52 52
245 47 47
246 11 11
247 12 12
248 3 3
249 2 2
250 1 1
254 1 1
255 7 7
256 4 4
257 19 19
258 6 6
259 16 16
260 5 5
261 3 3
262 1 1
263 14 14
264 4 4
265 9 9
266 2 2
267 1 1
269 1 1
270 5 5
271 178 178
272 44 44
273 26 26
274 5 5
275 3 3
276 1 1
277 2 2
278 2 2
279 6 6
280 2 2
281 1 1
285 1 1
286 1 1
287 4 4
288 2 2
289 5 5
290 7 7
291 26 26
292 9 9
293 5 5
294 1 1
295 1 1
301 1 1
302 1 1
303 2 2
304 6 6
305 26 26
306 12 12
307 7 7
308 2 2
309 1 1
313 1 1
316 1 1
317 10 10
318 10 10
319 54 54
320 25 25
321 11 11
322 3 3
323 2 2
324 1 1
329 1 1
330 5 5
331 52 52
332 35 35
333 17 17
334 6 6
335 2 2
336 1 1
344 1 1
345 8 8
346 4 4
347 3 3
348 1 1
349 1 1
359 2 2
360 60 60
361 977 977
362 309 309
363 140 140
364 29 29
365 7 7
366 1 1
373 1 1
376 1 1
377 4 4
378 2 2
379 1 1
393 1 1
434 1 1
435 7 7
436 3 3
437 1 1
450 1 1
451 6 6
452 2 2
453 1 1
463 3 3
464 1 1
//
