MassBank Record: MSBNK-Kazusa-KZ000081
ACCESSION: MSBNK-Kazusa-KZ000081
RECORD_TITLE: alpha-Lactose; GC-EI-TOF; MS; 8 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_01699_P000156
CH$NAME: alpha-Lactose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C12H22O11
CH$EXACT_MASS: 342.11621
CH$SMILES: OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]([C@@H](CO)2)[C@H](O)[C@@H](O)[C@@H](O)O2
CH$IUPAC: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
CH$LINK: CAS
63-42-3
CH$LINK: KEGG
C00243
CH$LINK: INCHIKEY
GUBGYTABKSRVRQ-XLOQQCSPSA-N
CH$LINK: COMPTOX
DTXSID50873004
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 2526.8
AC$CHROMATOGRAPHY: RETENTION_TIME 1112.81 sec
MS$FOCUSED_ION: BASE_PEAK 204
MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0uxs-0972000000-af8ca1bf1faa3d01a08d
PK$NUM_PEAK: 296
PK$PEAK: m/z int. rel.int.
82 9 9
83 9 9
84 13 13
85 15 15
86 10 10
87 14 14
88 11 11
89 187 187
90 17 17
91 9 9
92 1 1
93 1 1
94 2 2
95 3 3
96 2 2
97 20 20
98 4 4
99 14 14
100 30 30
101 50 50
102 26 26
103 364 364
104 37 37
105 61 61
106 7 7
107 3 3
108 1 1
109 10 10
110 3 3
111 10 10
112 3 3
113 18 18
114 19 19
115 20 20
116 22 22
117 234 234
118 25 25
119 19 19
120 2 2
121 1 1
123 1 1
124 1 1
125 3 3
126 3 3
127 13 13
128 9 9
129 292 292
130 47 47
131 65 65
132 12 12
133 119 119
134 17 17
135 11 11
136 1 1
137 1 1
138 2 2
139 5 5
140 3 3
141 12 12
142 16 16
143 85 85
144 14 14
145 27 27
146 5 5
147 808 808
148 132 132
149 87 87
150 11 11
151 6 6
152 3 3
153 8 8
154 5 5
155 47 47
156 12 12
157 58 58
158 14 14
159 11 11
160 135 135
161 28 28
162 9 9
163 24 24
164 5 5
165 3 3
166 2 2
167 4 4
168 6 6
169 174 174
170 28 28
171 16 16
172 8 8
173 14 14
174 6 6
175 9 9
176 2 2
177 8 8
178 2 2
179 2 2
180 3 3
181 3 3
182 2 2
183 6 6
184 2 2
185 5 5
186 6 6
187 5 5
188 3 3
189 58 58
190 18 18
191 118 118
192 22 22
193 11 11
194 2 2
195 3 3
196 4 4
197 3 3
198 4 4
199 6 6
200 4 4
201 10 10
202 5 5
203 30 30
204 999 999
205 403 403
206 129 129
207 39 39
208 7 7
209 2 2
210 19 19
211 5 5
212 3 3
213 2 2
214 3 3
215 17 17
216 22 22
217 527 527
218 133 133
219 56 56
220 11 11
221 26 26
222 6 6
223 5 5
224 1 1
225 1 1
226 1 1
227 7 7
228 5 5
229 37 37
230 24 24
231 49 49
232 17 17
233 29 29
234 9 9
235 4 4
236 1 1
237 1 1
238 1 1
239 1 1
240 4 4
241 10 10
242 7 7
243 82 82
244 28 28
245 27 27
246 12 12
247 16 16
248 4 4
249 2 2
250 1 1
253 1 1
254 3 3
255 4 4
256 8 8
257 9 9
258 4 4
259 21 21
260 7 7
261 4 4
262 7 7
263 4 4
264 1 1
265 4 4
266 1 1
267 1 1
268 7 7
269 10 10
270 8 8
271 73 73
272 20 20
273 11 11
274 5 5
275 4 4
276 5 5
277 3 3
278 2 2
279 2 2
283 1 1
284 1 1
285 1 1
286 2 2
287 2 2
288 1 1
289 2 2
290 1 1
291 13 13
292 4 4
293 3 3
294 1 1
297 1 1
299 1 1
300 17 17
301 5 5
302 3 3
303 3 3
304 5 5
305 24 24
306 10 10
307 7 7
308 2 2
309 1 1
313 1 1
314 1 1
315 1 1
316 2 2
317 8 8
318 9 9
319 136 136
320 51 51
321 24 24
322 6 6
323 2 2
328 1 1
329 1 1
330 2 2
331 27 27
332 20 20
333 11 11
334 4 4
335 2 2
336 1 1
337 2 2
338 1 1
342 1 1
343 3 3
344 3 3
345 6 6
346 3 3
347 2 2
348 1 1
358 4 4
359 14 14
360 17 17
361 383 383
362 132 132
363 63 63
364 15 15
365 4 4
366 1 1
373 1 1
374 3 3
375 1 1
376 2 2
377 2 2
378 1 1
379 1 1
389 1 1
390 5 5
391 2 2
392 1 1
393 1 1
408 1 1
409 5 5
410 2 2
411 1 1
421 1 1
422 1 1
423 1 1
427 1 1
428 1 1
435 1 1
436 1 1
448 1 1
449 2 2
450 3 3
451 12 12
452 5 5
453 3 3
454 1 1
464 3 3
465 2 2
466 1 1
467 1 1
479 4 4
480 21 21
481 11 11
482 6 6
483 2 2
//
