ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #10058 MN MID: SE203_S11_M90 |
| m/z: 435.27387, RT: 79.78, 強度: 4328, ログ強度: 0.07, 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: (34 names) DG(2:0/0:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5));DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/2:0/0:0);DG(20:4(5Z,8Z,11Z,13E)+=O(15)/2:0/0:0);Erinacine C;DG(2:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0);DG(2:0/20:4(6E,8Z,11Z,... |
| DBごとのヒット数: ALL 32 KN 7 HM 25 |
| FlavonoidSearch最大スコア MS2: 0.067, MS3: 0.125 |
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 |
|---|---|---|---|---|
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/0:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) | HMDB: HMDB0296989, HMDB0296990 |
| C25H38O6 | 434.26684 | -0.556 | DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/2:0/0:0) | HMDB: HMDB0296980 |
| C25H38O6 | 434.26684 | -0.556 | DG(20:4(5Z,8Z,11Z,13E)+=O(15)/2:0/0:0) | HMDB: HMDB0296952 |
| C25H38O6 | 434.26684 | -0.556 | Erinacine C | HMDB: HMDB0040389 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0) | HMDB: HMDB0296987 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0) | HMDB: HMDB0296947 |
| C25H38O6 | 434.26684 | -0.556 | Clibadic acid | KNApSAcK: C00022146 |
| C25H38O6 | 434.26684 | -0.556 | MG(0:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/0:0) | HMDB: HMDB0260549 |
| C25H38O6 | 434.26684 | -0.556 | DG(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/2:0/0:0) | HMDB: HMDB0296984 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) | HMDB: HMDB0296981, HMDB0296982 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0) | HMDB: HMDB0296983 |
| C25H38O6 | 434.26684 | -0.556 | DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/2:0/0:0) | HMDB: HMDB0296976 |
| C25H38O6 | 434.26684 | -0.556 | MG(0:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/0:0) | HMDB: HMDB0260557 |
| C25H38O6 | 434.26684 | -0.556 | (12S,15S)-15-O-Demethyl-10,29-dideoxy-11,12-dihydro-striatin C | HMDB: HMDB0033030 KNApSAcK: C00016106 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/0:0/20:4(5Z,8Z,11Z,13E)+=O(15)) | HMDB: HMDB0296953, HMDB0296954 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/0:0/20:4(6E,8Z,11Z,14Z)+=O(5)) | HMDB: HMDB0296949, HMDB0296950 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/0:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) | HMDB: HMDB0296985, HMDB0296986 |
| C25H38O6 | 434.26684 | -0.556 | Philadelphinone | KNApSAcK: C00030992 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0) | HMDB: HMDB0296975 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0) | HMDB: HMDB0296979 |
| C25H38O6 | 434.26684 | -0.556 | MG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/0:0/0:0) | HMDB: HMDB0260505 |
| C25H38O6 | 434.26684 | -0.556 | 3beta-Malonyloxy-15-acetoxy-ent-labda-7,13E-dien methylester | KNApSAcK: C00022598 |
| C25H38O6 | 434.26684 | -0.556 | DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/2:0/0:0) | HMDB: HMDB0296988 |
| C25H38O6 | 434.26684 | -0.556 | Iriomoteolide 3a | KNApSAcK: C00048734 |
| C25H38O6 | 434.26684 | -0.556 | MG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/0:0/0:0) | HMDB: HMDB0260497 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) | HMDB: HMDB0296977, HMDB0296978 |
| C25H38O6 | 434.26684 | -0.556 | DG(2:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0) | HMDB: HMDB0296951 |
| C25H38O6 | 434.26684 | -0.556 | Rasfonin | KNApSAcK: C00015648 |
| C25H38O6 | 434.26684 | -0.556 | Vladimuliecin A | KNApSAcK: C00047614 |
| C25H38O6 | 434.26684 | -0.556 | DG(20:4(6E,8Z,11Z,14Z)+=O(5)/2:0/0:0) | HMDB: HMDB0296948 |
| C26H34O2N4 | 434.26818 | -3.636 | Kaspar | HMDB: HMDB0249965 |
| C26H34O2N4 | 434.26818 | -3.636 | Urea, N-butyl-N'-(2-(3-(5-ethyl-4-phenyl-1H-imidazol-1-yl)propoxy)-6-methylphenyl)- | HMDB: HMDB0251664 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 435.27399 |
| Splash: splash10-00xr-0090300000-d0ed2dea9ac0af54ecdb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.20 | 1108 | 164 | 1000 |
| 417.08 | 821 | 18 | 741 |
| 253.17 | 422 | 182 | 380 |
| 235.18 | 251 | 200 | 226 |
| 146.97 | 117 | 288 | 106 |
| 273.21 | 102 | 162 | 92 |
| 217.26 | 73 | 218 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.059 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.059 | [Flavanone]-A(4OMe)-B(3OMe) | Flavanone | 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe) | Flavone | Agehoustin D |
| 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 |
| Level: 3, プリカーサーm/z: 417.11221 |
| Splash: splash10-0002-0901000000-57b01ecca66373d1f338 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 147.00 | 217 | 270 | 1000 |
| 398.42 | 13 | 19 | 60 |
| 399.12 | 12 | 18 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [Flavone]-A(1OH, 1(C-Glu))-B(1OH) | Flavone | Bayin |
| 0.125 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 6-C-beta-D-glucopyranoside |
| 0.125 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 8-C-beta-D-glucopyranoside |
| 0.125 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OH) | Isoflavone | 8-Glucosyldaidzein |
| 0.050 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Munetone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomolludistin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH) | Flavone | Molludistin |
| 0.000 | [Flavone]-A(2OH, 1(C-Rhamnosyl))-B(1OH) | Flavone | Isofurcatain |
| 0.000 | [Flavone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | Eupalestin |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OH) | Flavonol | Calomelanol D |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melibentin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Flavonol | Melicophyllin |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)-C(1(O-Acetyl)) | 6-Hydroxyrotenone | Dihydrostemonal 6-O-acetate |
| 0.000 | [4-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Tiglyl)-B(none) | 4-phenylcoumarin | Apetalolide |
| Level: 3, プリカーサーm/z: 271.16815 |
| Splash: splash10-0udr-0190000000-b2fb2505eb960ba129f2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 253.21 | 161 | 18 | 1000 |
| 235.21 | 91 | 36 | 564 |
| 169.14 | 25 | 102 | 154 |
| 143.10 | 10 | 128 | 62 |
| 216.95 | 10 | 54 | 59 |
| 164.99 | 9 | 106 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.214 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.214 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.154 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.154 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.154 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.154 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.154 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.154 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.154 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.150 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.133 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.133 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.133 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.133 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.133 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.133 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.133 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.133 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.133 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.133 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.133 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.133 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.133 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.125 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.125 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.125 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.125 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.125 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.125 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.125 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.091 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.071 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OMe) | Pterocarpan | Medicarpin |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1OH) | Pterocarpan | Isomedicarpin |
| 0.000 | [Aurone]-A(1OH)-B(2OH) | Aurone | Sulfuretin |
| 0.000 | [Aurone]-A(2OH)-B(1OH) | Aurone | 4,6,4'-Trihydroxyaurone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Methyllucidone |
| 0.000 | [UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none) | UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone | 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Strobopinin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Cryptostrobin |
| 0.000 | [Flavan]-A(1OMe, 1Methyl)-B(1OH) | Flavan | 4'-Hydroxy-7-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Flavan | 7-Hydroxy-3',4'-methylenedioxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(none) | Flavan | Tephrowatsin E |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavan | 7-Hydroxy-5-methoxy-6-methylflavan |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH) | 3-DehydroxyAnthocyanidin | Luteolinidin |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1OMe) | isoflavene | Haginin B |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Vignafuran |
| 0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH) | 2-Phenylbenzofuran | 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(none) | Dalbergiquinol | 5-Hydroxy-2,4-dimethoxydalbergiquinol |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4'-Hydroxy-4-methoxydalbergione |