ピーク情報
|
トマト Micro-Tom 花
pos
|
| Peak #9160 MN MID: SE203_S31_M90 |
| m/z: 787.21074, RT: 51.65, 強度: 107172, ログ強度: 1.37, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (13 names) Petunoside;Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside;5,7-Dihydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-galactopyranosyl]ox... |
| DBごとのヒット数: ALL 11 KN 10 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.632 |
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 |
|---|---|---|---|---|
| C37H38O19 | 786.20073 | 3.477 | Petunoside | FlavonoidViewer: FL5FAAGL0081 KNApSAcK: C00005882 LipidMAPS: LMPK12111803 |
| C37H38O19 | 786.20073 | 3.477 | Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside | FlavonoidViewer: FL5FAAGS0117 KNApSAcK: C00013784 LipidMAPS: LMPK12111952 |
| C37H38O19 | 786.20073 | 3.477 | Isoorientin 4'-O-glucoside 2''-O-(E)-ferulate | FlavonoidViewer: FL3FACDS0018 KNApSAcK: C00006331 LipidMAPS: LMPK12110626 |
| C37H38O19 | 786.20073 | 3.477 | Cyanidin 3-(6''-ferulylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AACGL0052 HMDB: [1]HMDB0037987 KNApSAcK: [1]C00006823 LipidMAPS: [1]LMPK12010161 |
| C37H38O19 | 786.20073 | 3.477 | Peonidin 3-[6-(3-glucosylcaffeyl)glucoside] | FlavonoidViewer: [1]FL7AADGL0015 KNApSAcK: [1]C00006863 LipidMAPS: [1]LMPK12010246 |
| C37H38O19 | 786.20073 | 3.477 | Petunidin 3-(6''-p-coumarylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAHGL0013 HMDB: [1]HMDB0038100 KNApSAcK: [1]C00006898 LipidMAPS: [1]LMPK12010360 |
| C37H38O19 | 786.20073 | 3.477 | Isorhamnetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside | FlavonoidViewer: FL5FADGL0040 KNApSAcK: C00011130 LipidMAPS: LMPK12110594 |
| C37H38O19 | 786.20073 | 3.477 | Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside | FlavonoidViewer: FL3FACDS0026 KNApSAcK: C00014097 LipidMAPS: LMPK12110634 |
| C37H38O19 | 786.20073 | 3.477 | Isoorientin 2''-[feruloyl-(->6)-glucoside] | HMDB: HMDB0032911 |
| C37H38O19 | 786.20073 | 3.477 | Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside) | FlavonoidViewer: FL5FAAGS0114 HMDB: HMDB0301960 KNApSAcK: C00013781 LipidMAPS: LMPK12111949 |
| C37H38O19 | 786.20073 | 3.477 | Ozturkoside B | KNApSAcK: C00035719 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 787.20856 |
| Splash: splash10-0uk9-0009000000-8618e9d28223d9378e9a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.12 | 1889 | 484 | 1000 |
| 323.06 | 1506 | 464 | 797 |
| 465.10 | 224 | 322 | 118 |
| 287.19 | 222 | 500 | 117 |
| 769.32 | 141 | 18 | 74 |
| 624.77 | 136 | 162 | 72 |
| 650.30 | 124 | 137 | 65 |
| 305.15 | 112 | 482 | 59 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 323.06277 |
| Splash: splash10-004i-0900000000-169de740b26f2a65cf36 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 177.00 | 1053 | 146 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Neobavaisoflavone |
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavone | 7,4'-Dihydroxy-8-prenylflavone |
| 0.000 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol D |
| 0.000 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Licoflavone A |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(none) | Flavone | 5,7-Dihydroxy-8-prenylflavone |
| 0.000 | [Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Chalcone | Munsericin |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin |
| 0.000 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | 3-Hydroxyisolonchocarpin |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(none) | Flavanone | Isoderricin A |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Neorautenol |
| 0.000 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Phaseollin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Isoneorautenol |
| 0.000 | [Flavan 3-ol]-A(4OH)-B(2OH) | Flavan 3-ol | Elephantorrhizol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Derricin |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | 4'-Hydroxyisolonchocarpin |
| 0.000 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone I |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Flemichapparin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Kanzonol B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Isobavachromene |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromene |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | Ovalitenin C |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(2OMe) | Flavone | Millettocalyxin C |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavonol | 3,4'-Dimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(3OH) | Flavan 3,4-diol | Gallocatechin-4-ol |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | isoflavene | Glabrene |
| Level: 3, プリカーサーm/z: 303.11899 |
| Splash: splash10-05r9-0390000000-687930efc79708c45f71 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.14 | 159 | 46 | 1000 |
| 285.05 | 149 | 18 | 934 |
| 229.12 | 133 | 74 | 838 |
| 165.08 | 130 | 138 | 818 |
| 247.03 | 55 | 56 | 344 |
| 275.12 | 47 | 28 | 298 |
| 303.11 | 46 | 0 | 291 |
| 274.15 | 26 | 29 | 162 |
| 153.00 | 24 | 150 | 152 |
| 136.93 | 17 | 166 | 103 |
| 120.79 | 15 | 182 | 95 |
| 218.94 | 15 | 84 | 94 |
| 201.16 | 15 | 102 | 92 |
| 160.86 | 11 | 142 | 68 |
| 162.94 | 11 | 140 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.632 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.632 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.600 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.600 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.600 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.600 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.600 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.600 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.563 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.563 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.471 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.471 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.455 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.455 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.444 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.389 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.389 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.353 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.353 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.278 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.250 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.190 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.190 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.190 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.190 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.190 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.190 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.190 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.190 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.190 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.190 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.190 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.190 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.190 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.167 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.136 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.136 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.136 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 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 |
| 0.118 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.105 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.095 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.095 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.063 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.053 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 0.045 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 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 |