ピーク情報
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トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #7919 MN MID: SE203_S11_M90 |
| m/z: 551.13970, RT: 50.67, 強度: 441473, ログ強度: 2.08, 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: (13 names) Limocitrin 7-(6''-acetylglucoside);Kurilensin B;(-)-Kurilensin B;;Quercetagetin 7-(6''-isobutyrylglucoside);6-Hydroxyquercetin 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[[... |
| DBごとのヒット数: ALL 8 KN 7 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.556 |
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 |
|---|---|---|---|---|
| C25H26O14 | 550.13226 | 0.299 | Limocitrin 7-(6''-acetylglucoside) | FlavonoidViewer: FL5FFCGS0022 KNApSAcK: C00006036 LipidMAPS: LMPK12113215 |
| C25H26O14 | 550.13226 | 0.299 | Kurilensin B | KNApSAcK: C00034012 |
| C25H26O14 | 550.13226 | 0.299 | LipidMAPS: LMPR0102070039 |
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| C25H26O14 | 550.13226 | 0.299 | Quercetagetin 7-(6''-isobutyrylglucoside) | FlavonoidViewer: FL5FECGS0053 KNApSAcK: C00013942 LipidMAPS: LMPK12112957 |
| C25H26O14 | 550.13226 | 0.299 | 6,8-Di-C-arabionopyranosylluteolin | FlavonoidViewer: FL3FACCS0042 KNApSAcK: C00006373 LipidMAPS: LMPK12110510 |
| C25H26O14 | 550.13226 | 0.299 | Kaempferol 3,4'-dixyloside | FlavonoidViewer: FL5FAAGS0032 KNApSAcK: C00005192 LipidMAPS: LMPK12111868 |
| C25H26O14 | 550.13226 | 0.299 | Syringetin 3-(6''-acetylglucoside) | FlavonoidViewer: FL5FAIGL0004 KNApSAcK: C00006049 LipidMAPS: LMPK12112491 |
| C25H26O14 | 550.13226 | 0.299 | Scutellarein 7-xylosyl-(1->2)-xyloside | FlavonoidViewer: FL3FEAGS0045 KNApSAcK: C00013632 LipidMAPS: LMPK12111149 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 551.13885 |
| Splash: splash10-0udi-0009030000-876df16c1cd85a4a65ba |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.11 | 64759 | 248 | 1000 |
| 533.14 | 20234 | 18 | 312 |
| 515.24 | 8410 | 36 | 129 |
| 345.14 | 6902 | 206 | 106 |
| 327.25 | 3733 | 224 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(2OH) | Flavone | 6,8-Di-C-Arabinosylluteolin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-E-styryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| Level: 3, プリカーサーm/z: 303.13989 |
| Splash: splash10-0fb9-0900000000-ea415ece76e3f5fa282d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 179.00 | 18300 | 124 | 1000 |
| 152.99 | 15791 | 150 | 862 |
| 177.05 | 7737 | 126 | 422 |
| 150.97 | 3339 | 152 | 182 |
| 285.10 | 2063 | 18 | 112 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.556 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.556 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.455 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.455 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.455 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.400 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.400 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.250 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.250 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 0.231 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.231 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.222 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 0.200 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.167 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.143 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.125 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | 3,5,8-Trihydroxy-7-methoxyflavanone |
| 0.125 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5-methyl ether |
| 0.125 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 7-methyl ether |
| 0.100 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.100 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.095 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.095 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.095 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.095 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.095 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.095 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.095 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.095 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.091 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.077 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.067 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.067 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.067 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.067 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.067 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.067 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.067 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.067 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.067 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.067 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.067 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.067 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.067 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.067 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.067 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.067 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.067 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.067 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 0.063 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.000 | [Isoflavan]-A(2OMe)-B(2OH) | Isoflavan | Lotisoflavan |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Sphaerosin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | 4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-) |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Mucronulatol |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Isomucronulatol |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Methoxyvestitol |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(1OH) | Dihydrochalcone | Dihydroflavokawain C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 2OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 2OMe) | Dihydrochalcone | 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | Lusianin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | Calomelanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | 2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | Dihydropashanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone |
| 0.000 | [Aurone]-A(2OH)-B(3OH) | Aurone | Bracteatin |
| 0.000 | [Auronol]-A(1OH)-B(1OH, 1OMe) | Auronol | 2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(1OH, 1OMe)-B(1OH) | Auronol | Carpusin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(1OH) | Dihydrochalcone | 4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OMe) | Dihydrochalcone alpha-ol | Odoratol |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Ceratiolin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(2OH) | Flavanone | 5,7,3',5'-Tetrahydroxy-6-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(2OH) | Flavanone | 6-C-Methyleriodictylol |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Methyl) | Flavanone | 5'-C-Methyleriodictylol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(1OH) | Dihydroflavonol | 6-Methylaromadendrin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(none) | Flavan 4-ol | 4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | Peltogynan-4-alpha-ol |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | Mopanan-4-alpha-ol |
| 0.000 | [Flavan]-A(2OH)-B(2OMe) | Flavan | Diffutidin |
| 0.000 | [Flavan]-A(2OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-5,7-dimethoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe) | Pterocarpan-6a-ol | 6a,7-Dihydroxymedicarpin |
| 0.000 | [[3,2']-Methano-4-phenylchroman (3-OH)]-A(2OH)-B(2OH) | [3,2']-Methano-4-phenylchroman | Haematoxylin |
| Level: 3, プリカーサーm/z: 533.12640 |
| Splash: splash10-016r-0009330000-6d94cdc1d9afecc08d1c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 515.14 | 2388 | 18 | 1000 |
| 327.13 | 2269 | 206 | 950 |
| 369.18 | 1640 | 164 | 686 |
| 383.24 | 1204 | 150 | 504 |
| 411.12 | 1167 | 122 | 488 |
| 365.07 | 757 | 168 | 316 |
| 497.20 | 529 | 36 | 221 |
| 177.04 | 390 | 356 | 163 |
| 393.32 | 338 | 140 | 141 |
| 471.23 | 280 | 62 | 117 |
| 381.13 | 213 | 152 | 89 |
| 447.24 | 213 | 86 | 89 |
| 219.03 | 211 | 314 | 88 |
| 429.29 | 209 | 104 | 87 |
| 261.11 | 201 | 272 | 84 |
| 279.19 | 134 | 254 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(E)-4-hydroxyprenyl))-B(2OH) | 2'-Hydroxychalcone | Isogemichalcone C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(2OH) | 2'-Hydroxychalcone | Gemichalcone C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyrottlerin |
| 0.000 | [Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2'',6''-O-diacetate |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(2OMe) | Flavone | 6''-O-Acetylisoorientin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 2'',6''-O-diacetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(2OH) | Flavone | Orientin 2''-O-(2'''-methylbutyrate) |