ピーク情報
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ごま いり（黒ごま）
pos
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| Peak #5381 MN MID: SE113_S050182_M90 |
| m/z: 321.11210, RT: 65.66, 強度: 1006, ログ強度: -0.34, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (78 names) 5,7,4'-Trihydroxy-3'-prenylisoflavone;3,5,7-Trihydroxy-6-prenylflavone;Demethoxycurcumin;Rubiginone A1;Ugonin T;(-)-Ugonin T;6-(1,1-Dimethylallyl)genistein;Glepidotin A;Capitellataquinone C;(-)-Capite... |
| DBごとのヒット数: ALL 65 KG 10 KN 51 HM 3 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.294, MS3: - |
DB検索結果
ppm
| 組成式 | 分子量 | 誤差(Δppm） | 候補化合物名（代表で最短名を記載） | 化合物ID |
|---|---|---|---|---|
| C20H18O5 | 338.11542 | -0.099 | Isowighteone | FlavonoidViewer: FLIAAANI0005 HMDB: HMDB0037920 KNApSAcK: C00009831 LipidMAPS: LMPK12050192 |
| C20H18O5 | 338.11542 | -0.099 | 3,5,7-Trihydroxy-6-prenylflavone | FlavonoidViewer: FL5FA9NI0002 KEGG: C11576 KNApSAcK: C00004988 LipidMAPS: LMPK12111640 |
| C20H18O5 | 338.11542 | -0.099 | Demethoxycurcumin | HMDB: HMDB0033801 KNApSAcK: C00033297, C00037023 |
| C20H18O5 | 338.11542 | -0.099 | Rubiginone A1 | KNApSAcK: C00017612 |
| C20H18O5 | 338.11542 | -0.099 | Ugonin T | KNApSAcK: C00048223 |
| C20H18O5 | 338.11542 | -0.099 | 6-(1,1-Dimethylallyl)genistein | FlavonoidViewer: FLIAAANI0002 KNApSAcK: C00009494 LipidMAPS: LMPK12050189 |
| C20H18O5 | 338.11542 | -0.099 | Glepidotin A | FlavonoidViewer: FL5FA9NI0001 KEGG: C10049 KNApSAcK: C00001045 LipidMAPS: LMPK12111639 |
| C20H18O5 | 338.11542 | -0.099 | Capitellataquinone C | KNApSAcK: C00035555 |
| C20H18O5 | 338.11542 | -0.099 | (-)-Glyceollin I | FlavonoidViewer: FLIDHXNP0001 HMDB: HMDB0033901 KEGG: C01701 KNApSAcK: C00002530 LipidMAPS: LMPK12070123 |
| C20H18O5 | 338.11542 | -0.099 | 2-Isoprenylemodin | KEGG: C10360 KNApSAcK: C00002832 LipidMAPS: LMPK13040010 |
| C20H18O5 | 338.11542 | -0.099 | Neoraufurane | FlavonoidViewer: FLII1LNP0001 KNApSAcK: C00009808 LipidMAPS: LMPK12160047 |
| C20H18O5 | 338.11542 | -0.099 | Moracin H | KNApSAcK: C00036153 |
| C20H18O5 | 338.11542 | -0.099 | Madagascin | KNApSAcK: C00034872 |
| C20H18O5 | 338.11542 | -0.099 | Eurycarpin A | KNApSAcK: C00019762 |
| C20H18O5 | 338.11542 | -0.099 | Buceracidin B | KNApSAcK: C00044597 |
| C20H18O5 | 338.11542 | -0.099 | 3'-Demethoxycyclocurcumin | KNApSAcK: C00054761 |
| C20H18O5 | 338.11542 | -0.099 | Isodispar B | KNApSAcK: C00050905 |
| C20H18O5 | 338.11542 | -0.099 | Glabroisoflavanone A | KNApSAcK: C00031815 |
| C20H18O5 | 338.11542 | -0.099 | Daleformis | KNApSAcK: C00050050 |
| C20H18O5 | 338.11542 | -0.099 | 6alpha-Hydroxyphaseollin | HMDB: HMDB0030771 |
| C20H18O5 | 338.11542 | -0.099 | 5,7,4'-Trihydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone | KNApSAcK: C00019033 |
| C20H18O5 | 338.11542 | -0.099 | (-)-Cagayanone A | KNApSAcK: C00034751, C00034752 |
| C20H18O5 | 338.11542 | -0.099 | Moracin H | HMDB: HMDB0033315 |
| C20H18O5 | 338.11542 | -0.099 | Decaspirone F | KNApSAcK: C00041489 |
| C20H18O5 | 338.11542 | -0.099 | Artonin ZB | KNApSAcK: C00055149 |
| C20H18O5 | 338.11542 | -0.099 | 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone | FlavonoidViewer: FL1C1ANP0007 KNApSAcK: C00007093 LipidMAPS: LMPK12120082 |
| C20H18O5 | 338.11542 | -0.099 | Citflavanone | FlavonoidViewer: FL2FAANP0003 KNApSAcK: C00008450 LipidMAPS: LMPK12140308 |
| C20H18O5 | 338.11542 | -0.099 | Apiocarpin | FlavonoidViewer: FLIDAANF0001 KNApSAcK: C00009645 LipidMAPS: LMPK12070092 |
| C20H18O5 | 338.11542 | -0.099 | 3,5,7-Trihydroxy-8-(1,1-dimethylprop-2-en-1-yl)flavone | FlavonoidViewer: FL5FA9NI0003 KEGG: C11581 KNApSAcK: C00004990 LipidMAPS: LMPK12111641 |
| C20H18O5 | 338.11542 | -0.099 | Paratocarpin K | FlavonoidViewer: FL2FAANP0009 KNApSAcK: C00014230 LipidMAPS: LMPK12140314 |
| C20H18O5 | 338.11542 | -0.099 | CE 33C | KNApSAcK: C00017188 |
| C20H18O5 | 338.11542 | -0.099 | Glyinflanin B | FlavonoidViewer: FL1CHYNP0003 KNApSAcK: C00007006 LipidMAPS: LMPK12120387 |
| C20H18O5 | 338.11542 | -0.099 | Otobanone | HMDB: HMDB0030618 |
| C20H18O5 | 338.11542 | -0.099 | Sterekunthal A | KNApSAcK: C00037842 |
| C20H18O5 | 338.11542 | -0.099 | Anthrasesamone D | KNApSAcK: C00054477 |
| C20H18O5 | 338.11542 | -0.099 | Licoagroaurone | HMDB: HMDB0035373 KNApSAcK: C00014650 |
| C20H18O5 | 338.11542 | -0.099 | Vismiaguianin A | KNApSAcK: C00037995 |
| C20H18O5 | 338.11542 | -0.099 | 5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone | FlavonoidViewer: FL2FA9NI0006 KNApSAcK: C00008175 LipidMAPS: LMPK12140169 |
| C20H18O5 | 338.11542 | -0.099 | Tuberosin | FlavonoidViewer: FLIDHXNP0003 HMDB: HMDB0302987 KNApSAcK: C00009684, C00020671 LipidMAPS: LMPK12070125 |
| C20H18O5 | 338.11542 | -0.099 | Demethoxycurcumin | KEGG: C17742 |
| C20H18O5 | 338.11542 | -0.099 | (-)-Glyceollin II | FlavonoidViewer: FLIDHXNP0002 HMDB: HMDB0034087 KEGG: C10422 KNApSAcK: C00002531 LipidMAPS: LMPK12070124 |
| C20H18O5 | 338.11542 | -0.099 | Glyceollin III | FlavonoidViewer: FLIDHXNF0003, FLIDHXNF0004 HMDB: HMDB0034041 KEGG: C15511 KNApSAcK: C00009685, C00009686 LipidMAPS: LMPK12070109, LMPK12070110 |
| C20H18O5 | 338.11542 | -0.099 | Mallotus A | FlavonoidViewer: FL1CE9NP0001 KNApSAcK: C00007108 LipidMAPS: LMPK12120335 |
| C20H18O5 | 338.11542 | -0.099 | Psoralenol | FlavonoidViewer: FLIA1ANP0004 KNApSAcK: C00009437 LipidMAPS: LMPK12050036 |
| C20H18O5 | 338.11542 | -0.099 | Yinyanghuo D | FlavonoidViewer: FL3FAANI0007 KNApSAcK: C00013407 LipidMAPS: LMPK12110415 |
| C20H18O5 | 338.11542 | -0.099 | Pinnatal | KNApSAcK: C00037648 |
| C20H18O5 | 338.11542 | -0.099 | Licoflavone C | FlavonoidViewer: FL3FAANP0003 KNApSAcK: C00004090 LipidMAPS: LMPK12110422 |
| C20H18O5 | 338.11542 | -0.099 | Methyl tanshinonate | HMDB: HMDB0036636 KNApSAcK: C00051581 |
| C20H18O5 | 338.11542 | -0.099 | 5,7,4'-Trihydroxy-6-prenylflavone | FlavonoidViewer: FL3FAANI0004 KNApSAcK: C00004089 LipidMAPS: LMPK12110412 |
| C20H18O5 | 338.11542 | -0.099 | Crotalarin | FlavonoidViewer: FLIAAANP0008 KNApSAcK: C00009908 LipidMAPS: LMPK12050208 |
| C20H18O5 | 338.11542 | -0.099 | Wighteone | FlavonoidViewer: FLIAAANI0001 KEGG: C10542 KNApSAcK: C00002586 LipidMAPS: LMPK12050188 |
| C20H18O5 | 338.11542 | -0.099 | Anthrasesamone F | KNApSAcK: C00054479 |
| C20H18O5 | 338.11542 | -0.099 | 5-Deoxyglyasperin F | KNApSAcK: C00018901 |
| C20H18O5 | 338.11542 | -0.099 | Lupiwighteone | FlavonoidViewer: FLIAAANI0009 HMDB: HMDB0038902 KNApSAcK: C00009896 LipidMAPS: LMPK12050196 |
| C20H18O5 | 338.11542 | -0.099 | Vitrofolal A | KNApSAcK: C00046506 |
| C20H18O5 | 338.11542 | -0.099 | Lespecyrtin F1 | KNApSAcK: C00047280 |
| C20H18O5 | 338.11542 | -0.099 | NSC 299114 | KNApSAcK: C00018046 |
| C20H18O5 | 338.11542 | -0.099 | 5-Deoxylicoisoflavanone | KNApSAcK: C00018902 |
| C20H18O5 | 338.11542 | -0.099 | Erythrivarone A | KNApSAcK: C00019377 |
| C20H18O5 | 338.11542 | -0.099 | (2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone | KNApSAcK: C00019218 |
| C20H18O5 | 338.11542 | -0.099 | Broussoaurone A | KNApSAcK: C00014649 |
| C20H18O5 | 338.11542 | -0.099 | LipidMAPS: LMPK12120615 |
|
| C20H18O5 | 338.11542 | -0.099 | Decaspirone C | KNApSAcK: C00041486 |
| C20H18O5 | 338.11542 | -0.099 | Teuvincenone F | KNApSAcK: C00040477 |
| C15H19O3N4Cl | 338.11457 | 2.430 | Dimefuron | KEGG: C18783 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 321.11224 |
| Splash: splash10-0pdi-0079000000-db25aae06e62716d653c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 279.06 | 9924 | 42 | 1000 |
| 303.22 | 8712 | 18 | 877 |
| 307.13 | 8613 | 14 | 867 |
| 306.18 | 2381 | 15 | 239 |
| 253.14 | 2002 | 68 | 201 |
| 293.09 | 1903 | 28 | 191 |
| 267.10 | 1236 | 54 | 124 |
| 263.07 | 982 | 58 | 98 |
| 285.13 | 927 | 36 | 93 |
| 292.09 | 520 | 29 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.294 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavone | 5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone |
| 0.150 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Erythrinin A |
| 0.150 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Corylin |
| 0.133 | [Dihydroflavonol]-A(2OH)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxyflavanone |
| 0.071 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH) | Flavan 3-ol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavan |
| 0.071 | [Flavan 3-ol]-A(2OH)-B(2OH, 1OMe) | Flavan 3-ol | Gallocatechin 4'-methyl ether |
| 0.000 | [Auronol]-A(2OH)-B(3OH) | Auronol | Amaronol A |
| 0.000 | [alpha-Hydroxychalcone]-A(4OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',3',4',6',alpha-Heptahydroxychalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(2OH, 1OMe) | Dihydrochalcone beta-ol | Gliricidol |
| 0.000 | [3-substituted Flavanone (3-Methyl)]-A(2OH, 1Cl)-B(1OH) | 3-substituted Flavanone | 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe)-B(2OH) | Flavan 3,4-diol | Mesquitol-4alpha-ol 8-methyl ether |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH, 1OMe) | Flavan 3,4-diol | Catechin-4-ol 3'-methyl ether |
| 0.000 | [Flav-3-ene]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flav-3-ene | Hildgardtene |
| 0.000 | [Pterocarpene]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpene | Anhydrotuberosin |
| 0.000 | [Coumestan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Coumestan | Erosnin |