ピーク情報
|
（その他） はちみつ
pos
|
| Peak #3758 MN MID: SE112_S030221_M90 |
| m/z: 453.33592, RT: 52.26, 強度: 7534, ログ強度: 0.48, アダクト: [M-2(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (56 names) 11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,22Z-dien-9-one.;Madasiatic acid;Hovenolactone;Emarginellic acid;(-)-Emarginellic acid;Versisponic acid A;(+)-Versisponic acid A;... |
| DBごとのヒット数: ALL 47 KG 4 KN 26 HM 9 LM 8 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C30H48O5 | 488.35017 | -0.822 | Bayogenin | HMDB: HMDB0034502 KNApSAcK: C00029724, C00052866 LipidMAPS: LMPR0106150007, LMPR0106150023 |
| C30H48O5 | 488.35017 | -0.822 | Euscaphic acid | HMDB: HMDB0036651, HMDB0253726 KEGG: C17890 KNApSAcK: C00019490, C00019491 |
| C30H48O5 | 488.35017 | -0.822 | Quadrangularic acid M | KNApSAcK: C00046874 |
| C30H48O5 | 488.35017 | -0.822 | Cimiaserin B | HMDB: HMDB0250251 |
| C30H48O5 | 488.35017 | -0.822 | Daedaleanic acid B | KNApSAcK: C00042442 |
| C30H48O5 | 488.35017 | -0.822 | Treleasegenic acid | KNApSAcK: C00032378 |
| C30H48O5 | 488.35017 | -0.822 | Cordianol D | KNApSAcK: C00044652 |
| C30H48O5 | 488.35017 | -0.822 | 22beta-Hydroxystellatogenin | KNApSAcK: C00029446 |
| C30H48O5 | 488.35017 | -0.822 | Dymacrin I | KNApSAcK: C00039066 |
| C30H48O5 | 488.35017 | -0.822 | Fomitopinic acid A | KNApSAcK: C00042514 |
| C30H48O5 | 488.35017 | -0.822 | 1beta,3beta,24-trihydroxyolean-28,13beta-olide | LipidMAPS: LMPR0106150048 |
| C30H48O5 | 488.35017 | -0.822 | 18-acetoxy-24-methylene-7alpha-hydroperoxy-cholest-5-en-3beta-ol | LipidMAPS: LMST01031238 |
| C30H48O5 | 488.35017 | -0.822 | Methyl 25-acetoxy-3beta-hydroxy-cholest-5-en-19-oate | LipidMAPS: LMST01010505 |
| C30H48O5 | 488.35017 | -0.822 | Arjunic acid | KNApSAcK: C00045663 |
| C30H48O5 | 488.35017 | -0.822 | Lycernuic acid B | KNApSAcK: C00051355 |
| C30H48O5 | 488.35017 | -0.822 | Sodwanone D | KNApSAcK: C00050306 |
| C30H48O5 | 488.35017 | -0.822 | Dahurinol | KEGG: C17841 |
| C30H48O5 | 488.35017 | -0.822 | 11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,22Z-dien-9-one. | LipidMAPS: LMST01031104 |
| C30H48O5 | 488.35017 | -0.822 | Madasiatic acid | HMDB: HMDB0035118 |
| C30H48O5 | 488.35017 | -0.822 | Hovenolactone | HMDB: HMDB0035957 |
| C30H48O5 | 488.35017 | -0.822 | Emarginellic acid | KNApSAcK: C00034839 |
| C30H48O5 | 488.35017 | -0.822 | Versisponic acid A | KNApSAcK: C00033473 |
| C30H48O5 | 488.35017 | -0.822 | 21beta-Hydroxyhederagenin | HMDB: HMDB0041039 |
| C30H48O5 | 488.35017 | -0.822 | Rotundic acid | HMDB: HMDB0257316 KNApSAcK: C00029789, C00031198, C00031228 |
| C30H48O5 | 488.35017 | -0.822 | Caulophyllogenin | KNApSAcK: C00055758 |
| C30H48O5 | 488.35017 | -0.822 | Centellasapogenol A | HMDB: HMDB0036311 |
| C30H48O5 | 488.35017 | -0.822 | 2beta-hydroxyqueretaroic acid | KNApSAcK: C00055655 |
| C30H48O5 | 488.35017 | -0.822 | Yardenone | KNApSAcK: C00045138 |
| C30H48O5 | 488.35017 | -0.822 | Lycoclavanin | KNApSAcK: C00034036 |
| C30H48O5 | 488.35017 | -0.822 | Orthosphenic acid | KNApSAcK: C00037588 |
| C30H48O5 | 488.35017 | -0.822 | Cimigenol | KEGG: C17538 LipidMAPS: LMST01100005 |
| C30H48O5 | 488.35017 | -0.822 | Asiatic acid | HMDB: HMDB0035782 KEGG: C08617 KNApSAcK: C00003739, C00024118, C00055654, C00055841 |
| C30H48O5 | 488.35017 | -0.822 | (8S,9S,10S,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9-nonyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | HMDB: HMDB0260197 |
| C30H48O5 | 488.35017 | -0.822 | Camelliagenin B | HMDB: HMDB0034531 KNApSAcK: C00054642 |
| C30H48O5 | 488.35017 | -0.822 | Ganoderiol D | HMDB: HMDB0037782 KNApSAcK: C00023860 |
| C30H48O5 | 488.35017 | -0.822 | Melianodiol | KNApSAcK: C00051527 |
| C30H48O5 | 488.35017 | -0.822 | 5alpha,8alpha-epidioxy3beta-9,11-secogorgost-6-en-9-one | LipidMAPS: LMST01060041 |
| C30H48O5 | 488.35017 | -0.822 | Spathodic acid | KNApSAcK: C00040339 |
| C30H48O5 | 488.35017 | -0.822 | 16beta-Hydroxystellatogenin | HMDB: HMDB0040391 |
| C30H48O5 | 488.35017 | -0.822 | Rubianol a | KNApSAcK: C00031234 |
| C30H48O5 | 488.35017 | -0.822 | Cordianol B | KNApSAcK: C00044650 |
| C30H48O5 | 488.35017 | -0.822 | 16beta-acetoxy-ergosta-5,22E-dien-3beta,,7beta,11beta-triol | LipidMAPS: LMST01031166 |
| C30H48O5 | 488.35017 | -0.822 | 3-oxo-14-demethyl-lanosta-8(14),24-dien-15alpha-methyl-7alpha,9alpha,15beta,26-tetraol | LipidMAPS: LMPR0106050007 |
| C30H48O5 | 488.35017 | -0.822 | Ananasic acid | HMDB: HMDB0038116 |
| C30H48O5 | 488.35017 | -0.822 | 11-acetoxy-3beta,6alpha-dihydroxy-24-methylene-9,11-seco-5alpha-cholesta-7,22E-dien-9-one. | LipidMAPS: LMST01031103 |
| C30H48O5 | 488.35017 | -0.822 | Pitheduloside I | HMDB: HMDB0034036 LipidMAPS: LMPR0106150022 |
| C30H48O5 | 488.35017 | -0.822 | (3beta,6alpha,19alpha)-3,6,19-Trihydroxy-12-ursen-28-oic acid | HMDB: HMDB0036961 LipidMAPS: LMPR0106180023 |
| C30H48O5 | 488.35017 | -0.822 | Madasiatic acid | KNApSAcK: C00051417 |
| C30H48O5 | 488.35017 | -0.822 | Glyyunnansapogenin B | HMDB: HMDB0036639 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 453.33594 |
| Splash: splash10-000i-0001900000-d413f1048b67587d58c2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 436.27 | 4979 | 17 | 1000 |
| 437.24 | 856 | 16 | 171 |
| 408.36 | 562 | 45 | 112 |
| 392.27 | 392 | 61 | 78 |
| 300.15 | 383 | 153 | 77 |
| 418.25 | 341 | 35 | 68 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Dorsmanin D |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Amoradinin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH) | 2'-Hydroxychalcone | Derrichalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Kushenol D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none) | Dihydrochalcone | Chamuvaritin |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH) | Dihydrochalcone | Aspalathin |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH) | Dihydrochalcone alpha-ol | Coatline B |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH) | Flavanone | Derriflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe) | Flavanone | 2'-Methoxykurarinone |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none) | Flavone | 9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavone | Epimedokoreanin A |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | 3-substituted Flavone | Heteroartonin A |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Artonin S |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavonol | Broussoflavonol B |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH) | Flavan 3-ol | 6-C-Glucopyranosylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH) | Flavan 3-ol | 8-C-Glucopyranosylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavan 3-ol | Catechin 8-C-beta-D-galactoside |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | Cinchonain Ib |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | Cinchonain Ic |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl)) | Flavan 3-ol | Gallocatechin 3-O-p-coumarate |
| Level: 3, プリカーサーm/z: 435.51743 |
| Splash: splash10-00kf-0029400000-f0480bdaf0b2a95d45db |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 392.23 | 472 | 43 | 1000 |
| 418.30 | 314 | 17 | 664 |
| 389.73 | 175 | 46 | 370 |
| 374.37 | 111 | 61 | 235 |
| 212.05 | 109 | 223 | 230 |
| 408.32 | 108 | 27 | 227 |
| 196.09 | 96 | 239 | 203 |
| 226.23 | 90 | 209 | 191 |
| 394.44 | 89 | 41 | 189 |
| 417.57 | 71 | 18 | 150 |
| 407.50 | 68 | 28 | 143 |
| 282.31 | 55 | 153 | 117 |
| 350.16 | 53 | 85 | 112 |
| 377.43 | 51 | 58 | 107 |
| 300.19 | 43 | 135 | 90 |
| 332.43 | 42 | 103 | 89 |
| 215.11 | 39 | 220 | 82 |
| 307.46 | 39 | 128 | 82 |
| 393.83 | 39 | 42 | 81 |
| 362.35 | 38 | 73 | 80 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.040 | [Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe) | Flavone | Agehoustin D |
| 0.036 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.033 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.033 | [Flavanone]-A(4OMe)-B(3OMe) | Flavanone | 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(4OMe) | beta-Hydroxy(or Oxodihydro)chalcone | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(2OH) | Flavanone | Palodulcin B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Hemiphloin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Isohemiphloin |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxyphenyl)-dihydro[1,4]dioxinyl))) | Flavone | Sinaticin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin A |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artobiloxanthone |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartobiloxanthone |
| 0.000 | [Flavonol (3-OMe)]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone II |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin A |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OH, 1OMe) | Flavonol | 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | Digicitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Mundulone |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | Auriculin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Scandenin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpic acid |