ACCESSION: MSBNK-Osaka_Univ-OUF00116
RECORD_TITLE: Apigenin; GC-EI-TOF; MS; n TMS; RT:1131.295 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$NAME: Apigenine
CH$NAME: Apigenin
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₅H₁₀O₅
CH$EXACT_MASS: 270.05282
CH$SMILES: Oc(c3)ccc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
CH$LINK: CAS 520-36-5
CH$LINK: CHEBI 18388
CH$LINK: CHEMSPIDER 4444100
CH$LINK: KEGG C01477
CH$LINK: PUBCHEM CID:5280443
CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022391

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$CHROMATOGRAPHY: RETENTION_INDEX 3168.787
AC$CHROMATOGRAPHY: RETENTION_TIME 1131.295 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-00di-0433900000-b411d851fccc9f228d84
PK$NUM_PEAK: 335
PK$PEAK: m/z int. rel.int.
  85 15 15
  86 6 6
  87 11 11
  88 4 4
  89 18 18
  90 5 5
  91 24 24
  92 6 6
  93 13 13
  94 1 1
  95 8 8
  96 6 6
  97 5 5
  98 4 4
  99 40 40
  100 5 5
  101 15 15
  102 6 6
  103 22 22
  104 7 7
  105 20 20
  106 6 6
  107 14 14
  108 1 1
  109 7 7
  110 2 2
  111 6 6
  112 1 1
  113 9 9
  114 4 4
  115 33 33
  116 7 7
  117 15 15
  118 8 8
  119 22 22
  120 6 6
  121 23 23
  122 7 7
  123 14 14
  124 4 4
  125 8 8
  126 6 6
  127 9 9
  128 8 8
  129 12 12
  130 3 3
  131 15 15
  132 7 7
  133 58 58
  134 15 15
  135 36 36
  136 6 6
  137 23 23
  138 8 8
  139 16 16
  140 5 5
  141 10 10
  142 6 6
  143 13 13
  144 1 1
  145 18 18
  146 9 9
  147 67 67
  148 14 14
  149 25 25
  150 17 17
  151 23 23
  152 13 13
  153 12 12
  154 6 6
  155 12 12
  156 7 7
  157 5 5
  158 2 2
  159 12 12
  160 4 4
  161 14 14
  162 10 10
  163 19 19
  164 9 9
  165 28 28
  166 8 8
  167 12 12
  168 8 8
  169 15 15
  170 6 6
  171 5 5
  172 1 1
  173 4 4
  174 3 3
  175 36 36
  176 18 18
  177 38 38
  178 24 24
  179 19 19
  180 5 5
  181 8 8
  182 3 3
  183 19 19
  184 12 12
  185 8 8
  186 4 4
  187 4 4
  188 1 1
  189 14 14
  190 9 9
  191 16 16
  192 25 25
  193 28 28
  194 5 5
  195 11 11
  196 4 4
  197 4 4
  198 2 2
  199 4 4
  200 3 3
  201 3 3
  202 5 5
  203 6 6
  204 2 2
  205 14 14
  206 5 5
  207 15 15
  208 5 5
  209 13 13
  210 6 6
  211 5 5
  212 5 5
  213 17 17
  214 3 3
  215 5 5
  216 1 1
  217 16 16
  218 5 5
  219 9 9
  220 15 15
  221 21 21
  222 11 11
  223 22 22
  224 8 8
  225 12 12
  226 5 5
  227 18 18
  228 238 238
  229 68 68
  230 8 8
  231 4 4
  232 1 1
  233 5 5
  234 3 3
  235 13 13
  236 5 5
  237 10 10
  238 4 4
  239 7 7
  240 3 3
  241 3 3
  242 3 3
  243 3 3
  245 1 1
  247 5 5
  248 1 1
  249 7 7
  250 3 3
  251 10 10
  252 6 6
  253 17 17
  254 5 5
  255 5 5
  256 1 1
  258 1 1
  259 7 7
  260 2 2
  261 2 2
  262 2 2
  263 3 3
  264 1 1
  265 8 8
  266 4 4
  267 9 9
  268 5 5
  269 9 9
  270 5 5
  271 2 2
  272 1 1
  274 1 1
  275 3 3
  277 5 5
  278 3 3
  279 11 11
  280 11 11
  281 31 31
  282 13 13
  283 9 9
  284 1 1
  285 1 1
  289 1 1
  290 2 2
  291 7 7
  292 4 4
  293 10 10
  294 6 6
  295 18 18
  296 8 8
  297 32 32
  298 29 29
  299 16 16
  300 6 6
  301 2 2
  302 1 1
  305 1 1
  306 3 3
  307 5 5
  308 5 5
  309 40 40
  310 18 18
  311 15 15
  312 7 7
  313 8 8
  314 2 2
  315 1 1
  320 1 1
  321 3 3
  322 4 4
  323 9 9
  324 19 19
  325 21 21
  326 16 16
  327 87 87
  328 30 30
  329 17 17
  330 4 4
  331 2 2
  333 1 1
  335 1 1
  337 3 3
  338 4 4
  339 11 11
  340 21 21
  341 17 17
  342 9 9
  343 4 4
  344 1 1
  345 1 1
  350 2 2
  351 3 3
  352 4 4
  353 9 9
  354 14 14
  355 11 11
  356 6 6
  357 15 15
  358 7 7
  359 4 4
  360 1 1
  363 3 3
  364 1 1
  365 2 2
  366 2 2
  367 9 9
  368 21 21
  369 39 39
  370 53 53
  371 33 33
  372 13 13
  373 3 3
  380 3 3
  381 19 19
  382 19 19
  383 23 23
  384 12 12
  385 29 29
  386 13 13
  387 3 3
  390 1 1
  395 6 6
  396 16 16
  397 24 24
  398 42 42
  399 108 108
  400 57 57
  401 38 38
  402 20 20
  403 6 6
  406 1 1
  411 3 3
  412 1 1
  413 5 5
  414 12 12
  415 6 6
  416 1 1
  423 1 1
  425 3 3
  426 3 3
  427 2 2
  428 2 2
  429 1 1
  430 1 1
  431 1 1
  432 1 1
  434 1 1
  437 1 1
  438 1 1
  439 3 3
  440 6 6
  441 24 24
  442 18 18
  443 7 7
  444 4 4
  445 1 1
  446 1 1
  452 1 1
  453 2 2
  454 3 3
  455 6 6
  456 4 4
  457 2 2
  466 1 1
  467 5 5
  468 16 16
  469 64 64
  470 262 262
  471 999 999
  472 553 553
  473 255 255
  474 87 87
  475 28 28
  476 6 6
  477 2 2
  479 1 1
  485 12 12
  486 7 7
  487 4 4
  488 2 2
  492 1 1
//