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
//