ピーク情報
|
イネ 玄米 ニッポンバレ
pos
|
| Peak #3822 MN MID: SE199_S21_M90 |
| m/z: 351.21655, RT: 51.30, 強度: 2728, ログ強度: 0.04, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (96 names) Rabdokunmin D;(-)-Rabdokunmin D;Enmelol;Havardic acid D;Pachyclavulariolide Q;(+)-Pachyclavulariolide Q;9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid;Isoscoparin H;(+)-Isoscoparin H;Prostaglandin E... |
| DBごとのヒット数: ALL 75 KG 9 KN 49 HM 4 LM 13 |
| FlavonoidSearch最大スコア MS2: 0.095, 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 |
|---|---|---|---|---|
| C20H30O5 | 350.20932 | -0.136 | Rabdokunmin D | KNApSAcK: C00034957 |
| C20H30O5 | 350.20932 | -0.136 | Enmelol | KNApSAcK: C00035600 |
| C20H30O5 | 350.20932 | -0.136 | Havardic acid D | KNApSAcK: C00022244 |
| C20H30O5 | 350.20932 | -0.136 | Pachyclavulariolide Q | KNApSAcK: C00044993 |
| C20H30O5 | 350.20932 | -0.136 | 9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid | HMDB: HMDB0062297 KEGG: C04758 LipidMAPS: LMFA03010206 |
| C20H30O5 | 350.20932 | -0.136 | Isoscoparin H | KNApSAcK: C00047256 |
| C20H30O5 | 350.20932 | -0.136 | Prostaglandin E3 | HMDB: HMDB0002664, HMDB0247474 KEGG: C06439 LipidMAPS: LMFA03010135 |
| C20H30O5 | 350.20932 | -0.136 | Prostaglandin I3 | HMDB: HMDB0256856 LipidMAPS: LMFA03010045 |
| C20H30O5 | 350.20932 | -0.136 | Rabdokunmin C | KNApSAcK: C00042901 |
| C20H30O5 | 350.20932 | -0.136 | 20-oxo-leukotriene B4 | HMDB: HMDB0012641 LipidMAPS: LMFA03020064 |
| C20H30O5 | 350.20932 | -0.136 | Spiramilactone D | KNApSAcK: C00024975 |
| C20H30O5 | 350.20932 | -0.136 | Teumassilin | KNApSAcK: C00023525 |
| C20H30O5 | 350.20932 | -0.136 | Thromboxane A3 | HMDB: HMDB0259049 LipidMAPS: LMFA03030005 |
| C20H30O5 | 350.20932 | -0.136 | Leopersin L | KNApSAcK: C00050379 |
| C20H30O5 | 350.20932 | -0.136 | Rabdoinflexin B | KNApSAcK: C00034956 |
| C20H30O5 | 350.20932 | -0.136 | isoandrographolide | KNApSAcK: C00041603 |
| C20H30O5 | 350.20932 | -0.136 | (ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid | HMDB: HMDB0036701 |
| C20H30O5 | 350.20932 | -0.136 | Prostaglandin D3 | HMDB: HMDB0003034 KEGG: C13802 LipidMAPS: LMFA03010142 |
| C20H30O5 | 350.20932 | -0.136 | 8beta,17-Epoxy-3beta,7beta-Dihydroxy-12(E)-labden-16,15-olide | KNApSAcK: C00036662 |
| C20H30O5 | 350.20932 | -0.136 | 4alpha-Formyloxy-18-norgrindelic acid | KNApSAcK: C00022628 |
| C20H30O5 | 350.20932 | -0.136 | Teumassilenin A | KNApSAcK: C00050246 |
| C20H30O5 | 350.20932 | -0.136 | Oryzalic acid A | HMDB: HMDB0037593 |
| C20H30O5 | 350.20932 | -0.136 | 9-oxo-15S,19-dihydroxy-5Z,8(12),13E-prostatrienoic acid | LipidMAPS: LMFA03010132, LMFA03010167 |
| C20H30O5 | 350.20932 | -0.136 | 5,6,18-trihydroxy-7E,9E,11E,14Z,16Z-eicosapentaenoic acid | LipidMAPS: LMFA03070042 |
| C20H30O5 | 350.20932 | -0.136 | Pseurata B | KNApSAcK: C00047363, C00047548 |
| C20H30O5 | 350.20932 | -0.136 | Umbellacin A | KNApSAcK: C00041953 |
| C20H30O5 | 350.20932 | -0.136 | Megathyrin B | KNApSAcK: C00051522 |
| C20H30O5 | 350.20932 | -0.136 | Teumassilenin C | KNApSAcK: C00050248 |
| C20H30O5 | 350.20932 | -0.136 | Andrographolide | HMDB: HMDB0248395 KEGG: C20214 KNApSAcK: C00023362, C00041336 |
| C20H30O5 | 350.20932 | -0.136 | Ballotenol | KNApSAcK: C00022394 |
| C20H30O5 | 350.20932 | -0.136 | Rabdoloxin B | KNApSAcK: C00034959 |
| C20H30O5 | 350.20932 | -0.136 | Resolvin E1 | HMDB: HMDB0010410, HMDB0060096, HMDB0257670 KEGG: C18171 LipidMAPS: LMFA03070041, LMFA03140003, LMFA03140009 |
| C20H30O5 | 350.20932 | -0.136 | Flexibolide | KNApSAcK: C00050100 |
| C20H30O5 | 350.20932 | -0.136 | Kamebakaurinin | KNApSAcK: C00051124 |
| C20H30O5 | 350.20932 | -0.136 | Oryzalic acid B | HMDB: HMDB0038693 |
| C20H30O5 | 350.20932 | -0.136 | (4S,5alpha)-8beta,14beta-epoxy-12beta-hydroxy-11-oxototaran-19-oic acid | LipidMAPS: LMPR0104070002 |
| C20H30O5 | 350.20932 | -0.136 | 12-Oxo-20-hydroxy-leukotriene B4 | HMDB: HMDB0012552 LipidMAPS: LMFA03020049 |
| C20H30O5 | 350.20932 | -0.136 | Marrubiglobosin | KNApSAcK: C00033161 |
| C20H30O5 | 350.20932 | -0.136 | 5S-Hydroperoxy-18R-HEPE | HMDB: HMDB0062616, HMDB0062797 KEGG: C18176 LipidMAPS: LMFA03070034, LMFA03070039 |
| C20H30O5 | 350.20932 | -0.136 | Minheryin G | KNApSAcK: C00047517 |
| C20H30O5 | 350.20932 | -0.136 | Oreskaurin C | KNApSAcK: C00035711 |
| C20H30O5 | 350.20932 | -0.136 | 15-Epi-lipoxin B5 | HMDB: HMDB0012588 LipidMAPS: LMFA03020053 |
| C20H30O5 | 350.20932 | -0.136 | Chalcolactone | KEGG: C18848 |
| C20H30O5 | 350.20932 | -0.136 | 9oxo-15S,19-dihydroxy-5Z,10Z,13E-prostatrienoic acid | LipidMAPS: LMFA03010130, LMFA03010166 |
| C20H30O5 | 350.20932 | -0.136 | Isoscoparin K | KNApSAcK: C00047258 |
| C20H30O5 | 350.20932 | -0.136 | 5,6,15-trihydroxy-7,9,13-Eicosatrien-11-ynoic acid | LipidMAPS: LMFA01030748 |
| C20H30O5 | 350.20932 | -0.136 | Hyperjovinol A | KNApSAcK: C00043590 |
| C20H30O5 | 350.20932 | -0.136 | Leopersin K | KNApSAcK: C00050378 |
| C20H30O5 | 350.20932 | -0.136 | 14-Hydroxyvaginatin | KNApSAcK: C00021422 |
| C20H30O5 | 350.20932 | -0.136 | 18-Acetoxy-6-oxogrindelic acid | KNApSAcK: C00022292 |
| C20H30O5 | 350.20932 | -0.136 | Deoxyarctolide | KNApSAcK: C00020891 |
| C20H30O5 | 350.20932 | -0.136 | Kamebakaurin | KNApSAcK: C00051123 |
| C20H30O5 | 350.20932 | -0.136 | 7R-Hydroxy-14-deoxyandrographolide | KNApSAcK: C00038325, C00038326 |
| C20H30O5 | 350.20932 | -0.136 | (E,Z,E,Z)-2-(9-Hydroxy-4,8-dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadienedioic acid | KNApSAcK: C00022059, C00022060 |
| C20H30O5 | 350.20932 | -0.136 | 15-Oxo-lipoxin A4 | HMDB: HMDB0012590, HMDB0062300 LipidMAPS: LMFA03040009, LMFA03040011 |
| C20H30O5 | 350.20932 | -0.136 | Leopersin D | KNApSAcK: C00051239 |
| C20H30O5 | 350.20932 | -0.136 | Tuxpanolide | KNApSAcK: C00043097 |
| C20H30O5 | 350.20932 | -0.136 | (5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate | KEGG: C04835 LipidMAPS: LMFA03010205 |
| C20H30O5 | 350.20932 | -0.136 | Angustanoic acid D | KNApSAcK: C00049988 |
| C20H30O5 | 350.20932 | -0.136 | Excisanin K | KNApSAcK: C00047232 |
| C20H30O5 | 350.20932 | -0.136 | 16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide | KNApSAcK: C00022128, C00022577 |
| C20H30O5 | 350.20932 | -0.136 | 9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010023 |
| C20H30O5 | 350.20932 | -0.136 | 4alpha-Carboxygrindelic acid | KNApSAcK: C00022638 |
| C20H30O5 | 350.20932 | -0.136 | 12-oxo-5S,18S-dihydroxy-6Z,8E,14Z,16E-eicosatetraenoic acid | LipidMAPS: LMFA03140002 |
| C20H30O5 | 350.20932 | -0.136 | [1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-6-(Acetyloxy)-4-ethoxy-1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester | KNApSAcK: C00020743 |
| C20H30O5 | 350.20932 | -0.136 | (5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-5,13-dienoate | HMDB: HMDB0002341, HMDB0003175, [-1]HMDB0303977 KEGG: C04707 LipidMAPS: LMFA03010030, LMFA03110009 |
| C20H30O5 | 350.20932 | -0.136 | Hymenosignin | KNApSAcK: C00020897 |
| C20H30O5 | 350.20932 | -0.136 | (ent-6alpha,13E)-6,16-Dihydroxy-17-oxo-7,13-labdadien-15-oic acid | KNApSAcK: C00022254 |
| C20H30O5 | 350.20932 | -0.136 | Cyllenin A | KNApSAcK: C00035207, C00035287, C00041247, C00041472 |
| C20H30O5 | 350.20932 | -0.136 | 11beta,13-Dihydroarbutifolin | KNApSAcK: C00022606 |
| C20H30O5 | 350.20932 | -0.136 | Zambesiacolactone A | KNApSAcK: C00034920 |
| C20H30O5 | 350.20932 | -0.136 | Teumassilenin B | KNApSAcK: C00050247 |
| C20H30O5 | 350.20932 | -0.136 | Hericenol C | KNApSAcK: C00037268 |
| C20H30O5 | 350.20932 | -0.136 | Prostaglandin H3 | HMDB: HMDB0013040 |
| C20H30O5 | 350.20932 | -0.136 | Rhodomollein XIX | KNApSAcK: C00043873 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 351.21658 |
| Splash: splash10-001i-0009000000-4f0b1cafa8b642872e4c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 333.19 | 665 | 18 | 1000 |
| 315.25 | 296 | 36 | 445 |
| 297.16 | 44 | 54 | 66 |
| 287.21 | 37 | 64 | 55 |
| 305.29 | 36 | 46 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.095 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Lanceolone�G4'-Hydroxy-5-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone |
| 0.095 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Isoflavone | 4'-O-methylalpinumisoflavone |
| 0.095 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Isoflavone | 4'-O-Methylderrone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Glabrachromene II |
| 0.000 | [Flavanone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Ovaliflavanone B |
| 0.000 | [Flavone]-A(1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavone | Semiglabrinol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautenane |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Leiocarpin |