MassBank Record: MSBNK-Osaka_Univ-OUF00285
ACCESSION: MSBNK-Osaka_Univ-OUF00285
RECORD_TITLE: Kaempferol; GC-EI-TOF; MS; n TMS; RT:1106.633 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: Kaempferol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04774
CH$SMILES: Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
CH$IUPAC: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
CH$LINK: CAS
520-18-3
CH$LINK: CHEBI
28499
CH$LINK: CHEMSPIDER
4444395
CH$LINK: KEGG
C05903
CH$LINK: PUBCHEM
CID:5280863
CH$LINK: INCHIKEY
IYRMWMYZSQPJKC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7020768
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 3071.410
AC$CHROMATOGRAPHY: RETENTION_TIME 1106.633 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0079-1963700000-1d3775db7c536f63b70c
PK$NUM_PEAK: 413
PK$PEAK: m/z int. rel.int.
85 81 81
86 36 36
87 56 56
88 47 47
89 104 104
90 43 43
91 189 189
92 29 29
93 68 68
94 16 16
95 47 47
96 20 20
97 41 41
98 23 23
99 153 153
100 23 23
101 46 46
102 32 32
103 149 149
104 67 67
105 167 167
106 31 31
107 71 71
108 13 13
109 48 48
110 22 22
111 32 32
112 18 18
113 28 28
114 24 24
115 171 171
116 40 40
117 77 77
118 33 33
119 156 156
120 46 46
121 155 155
122 20 20
123 36 36
124 9 9
125 15 15
126 22 22
127 49 49
128 44 44
129 61 61
130 7 7
131 126 126
132 33 33
133 589 589
134 109 109
135 254 254
136 35 35
137 50 50
138 38 38
139 60 60
140 22 22
141 57 57
142 23 23
143 70 70
144 14 14
145 58 58
146 32 32
147 417 417
148 90 90
149 161 161
150 74 74
151 86 86
152 61 61
153 60 60
154 22 22
155 48 48
156 20 20
157 41 41
158 15 15
159 31 31
160 13 13
161 60 60
162 36 36
163 136 136
164 63 63
165 185 185
166 54 54
167 61 61
168 36 36
169 47 47
170 20 20
171 38 38
172 11 11
173 24 24
174 16 16
175 51 51
176 68 68
177 159 159
178 109 109
179 140 140
180 43 43
181 58 58
182 23 23
183 43 43
184 41 41
185 29 29
186 18 18
187 36 36
188 24 24
189 119 119
190 53 53
191 228 228
192 78 78
193 568 568
194 117 117
195 105 105
196 24 24
197 37 37
198 25 25
199 35 35
200 18 18
201 26 26
202 52 52
203 60 60
204 24 24
205 72 72
206 48 48
207 176 176
208 37 37
209 85 85
210 35 35
211 40 40
212 19 19
213 24 24
214 45 45
215 41 41
216 18 18
217 38 38
218 27 27
219 55 55
220 45 45
221 82 82
222 29 29
223 83 83
224 35 35
225 37 37
226 9 9
227 49 49
228 74 74
229 34 34
230 8 8
231 16 16
232 14 14
233 42 42
234 25 25
235 87 87
236 106 106
237 95 95
238 26 26
239 58 58
240 33 33
241 31 31
242 16 16
243 25 25
244 11 11
245 16 16
246 9 9
247 32 32
248 23 23
249 50 50
250 25 25
251 58 58
252 38 38
253 66 66
254 22 22
255 31 31
256 19 19
257 44 44
258 26 26
259 16 16
260 11 11
261 19 19
262 13 13
263 33 33
264 57 57
265 94 94
266 53 53
267 79 79
268 40 40
269 57 57
270 32 32
271 63 63
272 999 999
273 388 388
274 61 61
275 28 28
276 8 8
277 36 36
278 22 22
279 91 91
280 83 83
281 56 56
282 25 25
283 38 38
284 13 13
285 34 34
286 24 24
287 49 49
288 20 20
289 26 26
290 6 6
291 23 23
292 11 11
293 46 46
294 28 28
295 88 88
296 41 41
297 48 48
298 15 15
299 19 19
300 3 3
301 19 19
302 9 9
303 12 12
304 10 10
305 22 22
306 21 21
307 42 42
308 31 31
309 51 51
310 31 31
311 60 60
312 30 30
313 45 45
314 24 24
315 17 17
316 6 6
317 7 7
318 10 10
319 9 9
320 7 7
321 32 32
322 34 34
323 51 51
324 37 37
325 82 82
326 41 41
327 41 41
328 21 21
329 15 15
330 2 2
331 19 19
332 15 15
333 7 7
334 9 9
335 15 15
336 22 22
337 48 48
338 27 27
339 62 62
340 49 49
341 110 110
342 60 60
343 104 104
344 37 37
345 23 23
346 13 13
347 19 19
348 12 12
349 19 19
350 18 18
351 24 24
352 21 21
353 58 58
354 39 39
355 73 73
356 28 28
357 55 55
358 21 21
359 18 18
360 4 4
361 9 9
362 9 9
363 15 15
364 13 13
365 24 24
366 32 32
367 49 49
368 42 42
369 74 74
370 53 53
371 55 55
372 26 26
373 18 18
374 1 1
375 11 11
376 5 5
377 17 17
378 19 19
379 24 24
380 22 22
381 45 45
382 35 35
383 94 94
384 65 65
385 95 95
386 69 69
387 40 40
388 25 25
389 7 7
390 4 4
391 4 4
392 13 13
393 41 41
394 40 40
395 38 38
396 44 44
397 93 93
398 59 59
399 70 70
400 34 34
401 27 27
402 12 12
403 8 8
404 7 7
405 3 3
406 3 3
407 3 3
408 4 4
409 22 22
410 25 25
411 45 45
412 71 71
413 101 101
414 99 99
415 276 276
416 144 144
417 117 117
418 49 49
419 27 27
420 2 2
421 6 6
422 2 2
423 4 4
424 10 10
425 20 20
426 23 23
427 59 59
428 60 60
429 90 90
430 64 64
431 40 40
432 16 16
433 4 4
434 8 8
436 8 8
437 12 12
438 5 5
439 21 21
440 18 18
441 46 46
442 76 76
443 215 215
444 164 164
445 72 72
446 35 35
447 15 15
448 9 9
450 9 9
451 1 1
452 3 3
453 16 16
454 18 18
455 54 54
456 76 76
457 162 162
458 260 260
459 209 209
460 118 118
461 40 40
462 16 16
463 7 7
464 6 6
465 4 4
466 10 10
467 15 15
468 21 21
469 64 64
470 85 85
471 150 150
472 102 102
473 104 104
474 60 60
475 35 35
476 11 11
477 4 4
478 7 7
479 1 1
480 1 1
481 4 4
482 5 5
483 45 45
484 107 107
485 215 215
486 383 383
487 598 598
488 381 381
489 270 270
490 171 171
491 81 81
492 31 31
493 10 10
494 3 3
495 3 3
496 7 7
498 8 8
499 14 14
500 20 20
//