ピーク情報
|
イネ 玄米 ニッポンバレ
pos
|
| Peak #3878 MN MID: SE199_S21_M90 |
| m/z: 351.21651, RT: 53.44, 強度: 2497, ログ強度: -0.00, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| 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: 0.053, MS3: 0.118 |
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 | -0.262 | Rabdokunmin D | KNApSAcK: C00034957 |
| C20H30O5 | 350.20932 | -0.262 | Enmelol | KNApSAcK: C00035600 |
| C20H30O5 | 350.20932 | -0.262 | Havardic acid D | KNApSAcK: C00022244 |
| C20H30O5 | 350.20932 | -0.262 | Pachyclavulariolide Q | KNApSAcK: C00044993 |
| C20H30O5 | 350.20932 | -0.262 | 9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid | HMDB: HMDB0062297 KEGG: C04758 LipidMAPS: LMFA03010206 |
| C20H30O5 | 350.20932 | -0.262 | Isoscoparin H | KNApSAcK: C00047256 |
| C20H30O5 | 350.20932 | -0.262 | Prostaglandin E3 | HMDB: HMDB0002664, HMDB0247474 KEGG: C06439 LipidMAPS: LMFA03010135 |
| C20H30O5 | 350.20932 | -0.262 | Prostaglandin I3 | HMDB: HMDB0256856 LipidMAPS: LMFA03010045 |
| C20H30O5 | 350.20932 | -0.262 | Rabdokunmin C | KNApSAcK: C00042901 |
| C20H30O5 | 350.20932 | -0.262 | 20-oxo-leukotriene B4 | HMDB: HMDB0012641 LipidMAPS: LMFA03020064 |
| C20H30O5 | 350.20932 | -0.262 | Spiramilactone D | KNApSAcK: C00024975 |
| C20H30O5 | 350.20932 | -0.262 | Teumassilin | KNApSAcK: C00023525 |
| C20H30O5 | 350.20932 | -0.262 | Thromboxane A3 | HMDB: HMDB0259049 LipidMAPS: LMFA03030005 |
| C20H30O5 | 350.20932 | -0.262 | Leopersin L | KNApSAcK: C00050379 |
| C20H30O5 | 350.20932 | -0.262 | Rabdoinflexin B | KNApSAcK: C00034956 |
| C20H30O5 | 350.20932 | -0.262 | isoandrographolide | KNApSAcK: C00041603 |
| C20H30O5 | 350.20932 | -0.262 | (ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid | HMDB: HMDB0036701 |
| C20H30O5 | 350.20932 | -0.262 | Prostaglandin D3 | HMDB: HMDB0003034 KEGG: C13802 LipidMAPS: LMFA03010142 |
| C20H30O5 | 350.20932 | -0.262 | 8beta,17-Epoxy-3beta,7beta-Dihydroxy-12(E)-labden-16,15-olide | KNApSAcK: C00036662 |
| C20H30O5 | 350.20932 | -0.262 | 4alpha-Formyloxy-18-norgrindelic acid | KNApSAcK: C00022628 |
| C20H30O5 | 350.20932 | -0.262 | Teumassilenin A | KNApSAcK: C00050246 |
| C20H30O5 | 350.20932 | -0.262 | Oryzalic acid A | HMDB: HMDB0037593 |
| C20H30O5 | 350.20932 | -0.262 | 9-oxo-15S,19-dihydroxy-5Z,8(12),13E-prostatrienoic acid | LipidMAPS: LMFA03010132, LMFA03010167 |
| C20H30O5 | 350.20932 | -0.262 | 5,6,18-trihydroxy-7E,9E,11E,14Z,16Z-eicosapentaenoic acid | LipidMAPS: LMFA03070042 |
| C20H30O5 | 350.20932 | -0.262 | Pseurata B | KNApSAcK: C00047363, C00047548 |
| C20H30O5 | 350.20932 | -0.262 | Umbellacin A | KNApSAcK: C00041953 |
| C20H30O5 | 350.20932 | -0.262 | Megathyrin B | KNApSAcK: C00051522 |
| C20H30O5 | 350.20932 | -0.262 | Teumassilenin C | KNApSAcK: C00050248 |
| C20H30O5 | 350.20932 | -0.262 | Andrographolide | HMDB: HMDB0248395 KEGG: C20214 KNApSAcK: C00023362, C00041336 |
| C20H30O5 | 350.20932 | -0.262 | Ballotenol | KNApSAcK: C00022394 |
| C20H30O5 | 350.20932 | -0.262 | Rabdoloxin B | KNApSAcK: C00034959 |
| C20H30O5 | 350.20932 | -0.262 | Resolvin E1 | HMDB: HMDB0010410, HMDB0060096, HMDB0257670 KEGG: C18171 LipidMAPS: LMFA03070041, LMFA03140003, LMFA03140009 |
| C20H30O5 | 350.20932 | -0.262 | Flexibolide | KNApSAcK: C00050100 |
| C20H30O5 | 350.20932 | -0.262 | Kamebakaurinin | KNApSAcK: C00051124 |
| C20H30O5 | 350.20932 | -0.262 | Oryzalic acid B | HMDB: HMDB0038693 |
| C20H30O5 | 350.20932 | -0.262 | (4S,5alpha)-8beta,14beta-epoxy-12beta-hydroxy-11-oxototaran-19-oic acid | LipidMAPS: LMPR0104070002 |
| C20H30O5 | 350.20932 | -0.262 | 12-Oxo-20-hydroxy-leukotriene B4 | HMDB: HMDB0012552 LipidMAPS: LMFA03020049 |
| C20H30O5 | 350.20932 | -0.262 | Marrubiglobosin | KNApSAcK: C00033161 |
| C20H30O5 | 350.20932 | -0.262 | 5S-Hydroperoxy-18R-HEPE | HMDB: HMDB0062616, HMDB0062797 KEGG: C18176 LipidMAPS: LMFA03070034, LMFA03070039 |
| C20H30O5 | 350.20932 | -0.262 | Minheryin G | KNApSAcK: C00047517 |
| C20H30O5 | 350.20932 | -0.262 | Oreskaurin C | KNApSAcK: C00035711 |
| C20H30O5 | 350.20932 | -0.262 | 15-Epi-lipoxin B5 | HMDB: HMDB0012588 LipidMAPS: LMFA03020053 |
| C20H30O5 | 350.20932 | -0.262 | Chalcolactone | KEGG: C18848 |
| C20H30O5 | 350.20932 | -0.262 | 9oxo-15S,19-dihydroxy-5Z,10Z,13E-prostatrienoic acid | LipidMAPS: LMFA03010130, LMFA03010166 |
| C20H30O5 | 350.20932 | -0.262 | Isoscoparin K | KNApSAcK: C00047258 |
| C20H30O5 | 350.20932 | -0.262 | 5,6,15-trihydroxy-7,9,13-Eicosatrien-11-ynoic acid | LipidMAPS: LMFA01030748 |
| C20H30O5 | 350.20932 | -0.262 | Hyperjovinol A | KNApSAcK: C00043590 |
| C20H30O5 | 350.20932 | -0.262 | Leopersin K | KNApSAcK: C00050378 |
| C20H30O5 | 350.20932 | -0.262 | 14-Hydroxyvaginatin | KNApSAcK: C00021422 |
| C20H30O5 | 350.20932 | -0.262 | 18-Acetoxy-6-oxogrindelic acid | KNApSAcK: C00022292 |
| C20H30O5 | 350.20932 | -0.262 | Deoxyarctolide | KNApSAcK: C00020891 |
| C20H30O5 | 350.20932 | -0.262 | Kamebakaurin | KNApSAcK: C00051123 |
| C20H30O5 | 350.20932 | -0.262 | 7R-Hydroxy-14-deoxyandrographolide | KNApSAcK: C00038325, C00038326 |
| C20H30O5 | 350.20932 | -0.262 | (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 | -0.262 | 15-Oxo-lipoxin A4 | HMDB: HMDB0012590, HMDB0062300 LipidMAPS: LMFA03040009, LMFA03040011 |
| C20H30O5 | 350.20932 | -0.262 | Leopersin D | KNApSAcK: C00051239 |
| C20H30O5 | 350.20932 | -0.262 | Tuxpanolide | KNApSAcK: C00043097 |
| C20H30O5 | 350.20932 | -0.262 | (5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate | KEGG: C04835 LipidMAPS: LMFA03010205 |
| C20H30O5 | 350.20932 | -0.262 | Angustanoic acid D | KNApSAcK: C00049988 |
| C20H30O5 | 350.20932 | -0.262 | Excisanin K | KNApSAcK: C00047232 |
| C20H30O5 | 350.20932 | -0.262 | 16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide | KNApSAcK: C00022128, C00022577 |
| C20H30O5 | 350.20932 | -0.262 | 9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010023 |
| C20H30O5 | 350.20932 | -0.262 | 4alpha-Carboxygrindelic acid | KNApSAcK: C00022638 |
| C20H30O5 | 350.20932 | -0.262 | 12-oxo-5S,18S-dihydroxy-6Z,8E,14Z,16E-eicosatetraenoic acid | LipidMAPS: LMFA03140002 |
| C20H30O5 | 350.20932 | -0.262 | [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 | -0.262 | (5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-5,13-dienoate | HMDB: HMDB0002341, HMDB0003175, [-1]HMDB0303977 KEGG: C04707 LipidMAPS: LMFA03010030, LMFA03110009 |
| C20H30O5 | 350.20932 | -0.262 | Hymenosignin | KNApSAcK: C00020897 |
| C20H30O5 | 350.20932 | -0.262 | (ent-6alpha,13E)-6,16-Dihydroxy-17-oxo-7,13-labdadien-15-oic acid | KNApSAcK: C00022254 |
| C20H30O5 | 350.20932 | -0.262 | Cyllenin A | KNApSAcK: C00035207, C00035287, C00041247, C00041472 |
| C20H30O5 | 350.20932 | -0.262 | 11beta,13-Dihydroarbutifolin | KNApSAcK: C00022606 |
| C20H30O5 | 350.20932 | -0.262 | Zambesiacolactone A | KNApSAcK: C00034920 |
| C20H30O5 | 350.20932 | -0.262 | Teumassilenin B | KNApSAcK: C00050247 |
| C20H30O5 | 350.20932 | -0.262 | Hericenol C | KNApSAcK: C00037268 |
| C20H30O5 | 350.20932 | -0.262 | Prostaglandin H3 | HMDB: HMDB0013040 |
| C20H30O5 | 350.20932 | -0.262 | Rhodomollein XIX | KNApSAcK: C00043873 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 351.21649 |
| Splash: splash10-001i-0009000000-f8beeb04e43c49cadced |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 333.17 | 1000 | 18 | 1000 |
| 315.18 | 97 | 36 | 96 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.053 | [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 |
| 0.053 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Isoflavone | 4'-O-methylalpinumisoflavone |
| 0.053 | [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 |
| Level: 3, プリカーサーm/z: 333.16583 |
| Splash: splash10-014i-0189000000-1e73686cd196363cf5d6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 315.20 | 263 | 18 | 1000 |
| 297.26 | 89 | 36 | 336 |
| 237.29 | 43 | 96 | 161 |
| 239.30 | 32 | 94 | 119 |
| 273.36 | 25 | 60 | 96 |
| 251.17 | 20 | 82 | 74 |
| 159.23 | 18 | 174 | 69 |
| 287.33 | 16 | 46 | 60 |
| 199.24 | 15 | 134 | 55 |
| 255.24 | 13 | 78 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone |
| 0.167 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.133 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,3'-dimethyl ether |
| 0.133 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,4'-dimethyl ether |
| 0.133 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone |
| 0.118 | [Isoflavanone]-A(2OH)-B(1OH, 2OMe) | Isoflavanone | Parvisoflavanone |
| 0.091 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Myricetin 5-methyl ether |
| 0.091 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Europetin |
| 0.091 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Allopatuletin |
| 0.091 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Patuletin |
| 0.091 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Quercetagetin 7-methyl ether |
| 0.091 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Ranupetin |
| 0.091 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Corniculatusin |
| 0.091 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3'-methyl ether |
| 0.091 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 4'-methyl ether |
| 0.091 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Haplogenin |
| 0.091 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Laricitrin |
| 0.091 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Mearnsetin |
| 0.077 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone |
| 0.077 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone |
| 0.077 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone |
| 0.077 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone |
| 0.071 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,3'-trimethyl ether |
| 0.071 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,4'-trimethyl ether |
| 0.050 | [Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavanone | Dihydrotricetin 7,3'-dimethyl ether |
| 0.050 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone |
| 0.050 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | Dioclein |
| 0.050 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.050 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.050 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(3OH) | Flavone | 3',4',5'-Trihydroxywogonin |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,6,7,3',4'-Pentahydroxy-8-methoxyflavone |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Duartin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Isoduartin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 3OMe) | Isoflavan | Lonchocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | Dihydropedicin |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | 3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone | Crombenin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(3OH) | Flavonol | Annulatin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Pinomyricetin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH, 1Methyl) | Flavonol | 2'-C-Methylmyricetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Quercetagetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Gossypetin 3-methyl ether |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none) | 4-substituted Flavan 3-ol | 3'-Deoxydryopteric acid |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Flavan 3,4-diol]-A(1OMe)-B(2OMe) | Flavan 3,4-diol | Fisetinidol-4beta-ol 7,3',4'-trimethyl ether |