ACCESSION: MSBNK-Osaka_Univ-OUF00238
RECORD_TITLE: Genistein; GC-EI-TOF; MS; n TMS; RT:1077.930 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$NAME: Genistein
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₅H₁₀O₅
CH$EXACT_MASS: 270.05282
CH$SMILES: Oc(c3)ccc(c3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1
CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
CH$LINK: CAS 446-72-0
CH$LINK: CHEBI 28088
CH$LINK: CHEMSPIDER 4444448
CH$LINK: KEGG C06563
CH$LINK: PUBCHEM CID:5280961
CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022308

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$CHROMATOGRAPHY: RETENTION_INDEX 2961.367
AC$CHROMATOGRAPHY: RETENTION_TIME 1077.930 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00di-0321900000-1dd6fcaf99898bd949df
PK$NUM_PEAK: 271
PK$PEAK: m/z int. rel.int.
  85 10 10
  86 2 2
  87 6 6
  88 7 7
  89 20 20
  90 5 5
  91 17 17
  92 6 6
  93 10 10
  94 1 1
  95 6 6
  97 2 2
  98 4 4
  99 25 25
  100 2 2
  101 10 10
  102 4 4
  103 22 22
  104 4 4
  105 14 14
  106 2 2
  107 7 7
  108 1 1
  109 5 5
  111 5 5
  113 4 4
  114 1 1
  115 22 22
  116 3 3
  117 9 9
  118 4 4
  119 16 16
  120 2 2
  121 9 9
  123 4 4
  124 3 3
  126 4 4
  127 11 11
  128 4 4
  129 7 7
  131 11 11
  132 4 4
  133 66 66
  134 10 10
  135 27 27
  136 1 1
  137 21 21
  138 5 5
  139 14 14
  140 3 3
  141 5 5
  142 4 4
  143 6 6
  145 11 11
  146 3 3
  147 73 73
  148 10 10
  149 18 18
  150 15 15
  151 22 22
  152 14 14
  153 8 8
  154 4 4
  155 9 9
  156 2 2
  157 2 2
  159 9 9
  160 3 3
  161 10 10
  162 7 7
  163 25 25
  164 8 8
  165 29 29
  166 7 7
  167 7 7
  168 5 5
  169 9 9
  171 3 3
  172 2 2
  173 5 5
  174 2 2
  175 27 27
  176 14 14
  177 52 52
  178 20 20
  179 19 19
  180 1 1
  181 7 7
  182 4 4
  183 12 12
  184 15 15
  185 6 6
  188 1 1
  189 10 10
  190 9 9
  191 16 16
  192 21 21
  193 16 16
  194 6 6
  195 7 7
  196 3 3
  197 2 2
  198 2 2
  199 4 4
  200 1 1
  201 3 3
  202 3 3
  203 6 6
  204 1 1
  205 8 8
  207 16 16
  208 3 3
  209 10 10
  210 2 2
  211 3 3
  212 1 1
  213 13 13
  214 4 4
  215 1 1
  218 3 3
  219 11 11
  220 11 11
  221 16 16
  222 5 5
  223 20 20
  224 7 7
  225 7 7
  226 2 2
  227 10 10
  228 269 269
  229 74 74
  230 3 3
  232 1 1
  233 3 3
  234 5 5
  235 13 13
  236 10 10
  237 9 9
  238 1 1
  239 10 10
  240 1 1
  241 4 4
  247 3 3
  249 9 9
  250 5 5
  251 6 6
  252 5 5
  253 19 19
  254 5 5
  255 4 4
  257 2 2
  259 4 4
  261 1 1
  264 1 1
  265 3 3
  266 2 2
  267 7 7
  269 10 10
  270 1 1
  271 1 1
  273 2 2
  277 2 2
  278 3 3
  279 7 7
  280 6 6
  281 19 19
  282 8 8
  283 4 4
  285 3 3
  290 1 1
  291 4 4
  292 1 1
  293 4 4
  294 2 2
  295 8 8
  296 5 5
  297 10 10
  298 6 6
  299 5 5
  307 4 4
  308 2 2
  309 25 25
  310 10 10
  311 9 9
  312 3 3
  313 5 5
  321 1 1
  323 9 9
  324 5 5
  325 10 10
  326 3 3
  327 31 31
  328 7 7
  329 2 2
  336 1 1
  338 2 2
  339 7 7
  340 6 6
  341 11 11
  342 4 4
  351 1 1
  352 3 3
  353 8 8
  354 6 6
  355 9 9
  356 2 2
  357 1 1
  359 1 1
  361 1 1
  365 1 1
  366 1 1
  367 7 7
  368 8 8
  369 27 27
  370 39 39
  371 21 21
  372 5 5
  374 1 1
  380 2 2
  381 12 12
  382 9 9
  383 19 19
  384 10 10
  385 2 2
  395 2 2
  396 7 7
  397 18 18
  398 43 43
  399 123 123
  400 62 62
  401 37 37
  402 12 12
  403 2 2
  413 9 9
  414 6 6
  415 4 4
  416 1 1
  425 3 3
  427 1 1
  429 1 1
  430 2 2
  439 2 2
  440 2 2
  441 11 11
  442 6 6
  443 3 3
  446 1 1
  452 1 1
  453 3 3
  454 1 1
  455 5 5
  456 1 1
  457 1 1
  466 2 2
  467 1 1
  468 11 11
  469 58 58
  470 270 270
  471 999 999
  472 574 574
  473 267 267
  474 90 90
  475 22 22
  476 3 3
  477 2 2
  484 1 1
  485 5 5
  486 9 9
  487 5 5
  488 1 1
  496 1 1
//