ピーク情報
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（その他） はちみつ
pos
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| Peak #3759 MN MID: SE112_S030221_M90 |
| m/z: 489.35701, RT: 52.26, 強度: 7221, ログ強度: 0.46, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| 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: 0.028 |
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 | -0.903 | Bayogenin | HMDB: HMDB0034502 KNApSAcK: C00029724, C00052866 LipidMAPS: LMPR0106150007, LMPR0106150023 |
| C30H48O5 | 488.35017 | -0.903 | Euscaphic acid | HMDB: HMDB0036651, HMDB0253726 KEGG: C17890 KNApSAcK: C00019490, C00019491 |
| C30H48O5 | 488.35017 | -0.903 | Quadrangularic acid M | KNApSAcK: C00046874 |
| C30H48O5 | 488.35017 | -0.903 | Cimiaserin B | HMDB: HMDB0250251 |
| C30H48O5 | 488.35017 | -0.903 | Daedaleanic acid B | KNApSAcK: C00042442 |
| C30H48O5 | 488.35017 | -0.903 | Treleasegenic acid | KNApSAcK: C00032378 |
| C30H48O5 | 488.35017 | -0.903 | Cordianol D | KNApSAcK: C00044652 |
| C30H48O5 | 488.35017 | -0.903 | 22beta-Hydroxystellatogenin | KNApSAcK: C00029446 |
| C30H48O5 | 488.35017 | -0.903 | Dymacrin I | KNApSAcK: C00039066 |
| C30H48O5 | 488.35017 | -0.903 | Fomitopinic acid A | KNApSAcK: C00042514 |
| C30H48O5 | 488.35017 | -0.903 | 1beta,3beta,24-trihydroxyolean-28,13beta-olide | LipidMAPS: LMPR0106150048 |
| C30H48O5 | 488.35017 | -0.903 | 18-acetoxy-24-methylene-7alpha-hydroperoxy-cholest-5-en-3beta-ol | LipidMAPS: LMST01031238 |
| C30H48O5 | 488.35017 | -0.903 | Methyl 25-acetoxy-3beta-hydroxy-cholest-5-en-19-oate | LipidMAPS: LMST01010505 |
| C30H48O5 | 488.35017 | -0.903 | Arjunic acid | KNApSAcK: C00045663 |
| C30H48O5 | 488.35017 | -0.903 | Lycernuic acid B | KNApSAcK: C00051355 |
| C30H48O5 | 488.35017 | -0.903 | Sodwanone D | KNApSAcK: C00050306 |
| C30H48O5 | 488.35017 | -0.903 | Dahurinol | KEGG: C17841 |
| C30H48O5 | 488.35017 | -0.903 | 11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,22Z-dien-9-one. | LipidMAPS: LMST01031104 |
| C30H48O5 | 488.35017 | -0.903 | Madasiatic acid | HMDB: HMDB0035118 |
| C30H48O5 | 488.35017 | -0.903 | Hovenolactone | HMDB: HMDB0035957 |
| C30H48O5 | 488.35017 | -0.903 | Emarginellic acid | KNApSAcK: C00034839 |
| C30H48O5 | 488.35017 | -0.903 | Versisponic acid A | KNApSAcK: C00033473 |
| C30H48O5 | 488.35017 | -0.903 | 21beta-Hydroxyhederagenin | HMDB: HMDB0041039 |
| C30H48O5 | 488.35017 | -0.903 | Rotundic acid | HMDB: HMDB0257316 KNApSAcK: C00029789, C00031198, C00031228 |
| C30H48O5 | 488.35017 | -0.903 | Caulophyllogenin | KNApSAcK: C00055758 |
| C30H48O5 | 488.35017 | -0.903 | Centellasapogenol A | HMDB: HMDB0036311 |
| C30H48O5 | 488.35017 | -0.903 | 2beta-hydroxyqueretaroic acid | KNApSAcK: C00055655 |
| C30H48O5 | 488.35017 | -0.903 | Yardenone | KNApSAcK: C00045138 |
| C30H48O5 | 488.35017 | -0.903 | Lycoclavanin | KNApSAcK: C00034036 |
| C30H48O5 | 488.35017 | -0.903 | Orthosphenic acid | KNApSAcK: C00037588 |
| C30H48O5 | 488.35017 | -0.903 | Cimigenol | KEGG: C17538 LipidMAPS: LMST01100005 |
| C30H48O5 | 488.35017 | -0.903 | Asiatic acid | HMDB: HMDB0035782 KEGG: C08617 KNApSAcK: C00003739, C00024118, C00055654, C00055841 |
| C30H48O5 | 488.35017 | -0.903 | (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 | -0.903 | Camelliagenin B | HMDB: HMDB0034531 KNApSAcK: C00054642 |
| C30H48O5 | 488.35017 | -0.903 | Ganoderiol D | HMDB: HMDB0037782 KNApSAcK: C00023860 |
| C30H48O5 | 488.35017 | -0.903 | Melianodiol | KNApSAcK: C00051527 |
| C30H48O5 | 488.35017 | -0.903 | 5alpha,8alpha-epidioxy3beta-9,11-secogorgost-6-en-9-one | LipidMAPS: LMST01060041 |
| C30H48O5 | 488.35017 | -0.903 | Spathodic acid | KNApSAcK: C00040339 |
| C30H48O5 | 488.35017 | -0.903 | 16beta-Hydroxystellatogenin | HMDB: HMDB0040391 |
| C30H48O5 | 488.35017 | -0.903 | Rubianol a | KNApSAcK: C00031234 |
| C30H48O5 | 488.35017 | -0.903 | Cordianol B | KNApSAcK: C00044650 |
| C30H48O5 | 488.35017 | -0.903 | 16beta-acetoxy-ergosta-5,22E-dien-3beta,,7beta,11beta-triol | LipidMAPS: LMST01031166 |
| C30H48O5 | 488.35017 | -0.903 | 3-oxo-14-demethyl-lanosta-8(14),24-dien-15alpha-methyl-7alpha,9alpha,15beta,26-tetraol | LipidMAPS: LMPR0106050007 |
| C30H48O5 | 488.35017 | -0.903 | Ananasic acid | HMDB: HMDB0038116 |
| C30H48O5 | 488.35017 | -0.903 | 11-acetoxy-3beta,6alpha-dihydroxy-24-methylene-9,11-seco-5alpha-cholesta-7,22E-dien-9-one. | LipidMAPS: LMST01031103 |
| C30H48O5 | 488.35017 | -0.903 | Pitheduloside I | HMDB: HMDB0034036 LipidMAPS: LMPR0106150022 |
| C30H48O5 | 488.35017 | -0.903 | (3beta,6alpha,19alpha)-3,6,19-Trihydroxy-12-ursen-28-oic acid | HMDB: HMDB0036961 LipidMAPS: LMPR0106180023 |
| C30H48O5 | 488.35017 | -0.903 | Madasiatic acid | KNApSAcK: C00051417 |
| C30H48O5 | 488.35017 | -0.903 | Glyyunnansapogenin B | HMDB: HMDB0036639 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 489.35672 |
| Splash: splash10-0uk9-0000900000-34d19f801dd4bdd4361e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 453.25 | 1681 | 36 | 1000 |
| 471.19 | 1056 | 18 | 628 |
| 413.27 | 180 | 76 | 106 |
| 441.27 | 166 | 48 | 98 |
| 407.21 | 138 | 82 | 82 |
| 425.17 | 115 | 64 | 68 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(4-Isopropyl-6,6,8,8-tetramethyl-5,7-dioxy-4,8-dihydrochromeno)))-B(none) | Flavanone | Lumaflavanone A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Amorin |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Flemichin A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a11 |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a12 |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(1OH) | Flavone | Isoswertisin 2''-O-acetate |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 3-substituted Flavone | Rubraflavone D |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | 3-substituted Flavone | Sanggenone K |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 2(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Artelastin |
| 0.000 | [Flavonol]-A(2OH, 2(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | Dorsilurin C |
| Level: 3, プリカーサーm/z: 453.25269 |
| Splash: splash10-0a4r-0132900000-e099529454e3b6fec455 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 407.36 | 207 | 46 | 1000 |
| 435.46 | 81 | 18 | 389 |
| 201.21 | 67 | 252 | 325 |
| 389.46 | 60 | 64 | 287 |
| 214.97 | 34 | 238 | 165 |
| 417.45 | 31 | 36 | 151 |
| 189.18 | 27 | 264 | 130 |
| 409.54 | 18 | 44 | 87 |
| 425.42 | 16 | 28 | 78 |
| 227.47 | 16 | 226 | 76 |
| 161.02 | 15 | 292 | 73 |
| 333.46 | 15 | 120 | 73 |
| 173.04 | 15 | 280 | 71 |
| 347.27 | 11 | 106 | 54 |
| 199.11 | 11 | 254 | 54 |
| 229.11 | 11 | 224 | 54 |
| 319.21 | 11 | 134 | 54 |
| 373.37 | 10 | 80 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.031 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Amoradinin |
| 0.028 | [Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Dorsmanin D |
| 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: 471.19205 |
| Splash: splash10-0udi-0000900000-69dceb6852f9fbf9d719 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 453.26 | 154 | 18 | 1000 |
| 407.22 | 46 | 64 | 299 |
| 413.27 | 29 | 58 | 189 |
| 425.31 | 28 | 46 | 184 |
| 320.15 | 22 | 151 | 140 |
| 417.37 | 14 | 54 | 89 |
| 549.01 | 11 | -78 | 71 |
| 397.12 | 11 | 74 | 71 |
| 453.93 | 10 | 17 | 63 |
| 428.29 | 8 | 43 | 53 |
| 439.03 | 8 | 32 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1([2,3:@@]-(5-Oxo-4-(1-Hydroxy-3-phenylallylidene)-4,5-dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Didymocalyxin B |