ピーク情報
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（なす類） なす 果実 生
pos
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| Peak #957 MN MID: SE118_S061911_M90 |
| m/z: 289.09183, RT: 11.95, 強度: 24067, ログ強度: 1.03, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 111 |
| DB検索結果: (6 names) Dianthoside;(-)-Dianthoside;Maltol beta-D-glucopyranoside;Maltol glucoside;Phlorin;Glucosylisomaltol |
| DBごとのヒット数: ALL 3 KN 1 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.125, MS3: 0.100 |
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 |
|---|---|---|---|---|
| C12H16O8 | 288.08452 | 0.123 | Dianthoside | KNApSAcK: C00030712 |
| C12H16O8 | 288.08452 | 0.123 | Phlorin | HMDB: HMDB0035589 |
| C12H16O8 | 288.08452 | 0.123 | Glucosylisomaltol | HMDB: HMDB0038341 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 289.09143 |
| Splash: splash10-00di-0390000000-c8fb23ccef2ecbc21799 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.18 | 1685 | 18 | 1000 |
| 253.00 | 751 | 36 | 445 |
| 126.90 | 384 | 162 | 228 |
| 223.02 | 232 | 66 | 137 |
| 163.01 | 226 | 126 | 133 |
| 144.97 | 177 | 144 | 105 |
| 199.21 | 168 | 90 | 99 |
| 206.90 | 126 | 82 | 74 |
| 234.96 | 115 | 54 | 68 |
| 240.93 | 107 | 48 | 63 |
| 229.14 | 104 | 60 | 61 |
| 261.25 | 101 | 28 | 60 |
| 180.54 | 93 | 109 | 55 |
| 211.19 | 90 | 78 | 53 |
| 195.29 | 85 | 94 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.125 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.125 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.120 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.120 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.091 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.087 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.087 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.087 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.087 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.059 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 0.056 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.056 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.045 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.043 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.042 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.042 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Isocarthamidin |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OH, 1OMe) | Dihydrochalcone | Loureirin D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | Asebogenin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(2OH) | Dihydrochalcone | Dihydrocalythropsin |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1OMe) | Dihydrochalcone | 4,2',4'-Trihydroxy-3-methoxydihydrochalcone |
| 0.000 | [Auronol]-A(1OH)-B(2OH) | Auronol | 2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(2OH)-B(1OH) | Auronol | Maesopsin |
| 0.000 | [alpha-Hydroxychalcone]-A(2OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',4',alpha-Pentahydroxychalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone alpha-ol | 4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe) | Dihydrochalcone alpha-ol | 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(1OH) | 2-Hydroxyflavanone | 2,5,7,4'-Tetrahydroxyflavanone |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | Cyanomaclurin |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 1OMe) | Flavan | 7,3',5'-Trihydroxy-4'-methoxyflavan |
| Level: 3, プリカーサーm/z: 252.99609 |
| Splash: splash10-05mn-2930000000-2d46922f6a8797d16386 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 193.13 | 147 | 60 | 1000 |
| 207.12 | 132 | 46 | 900 |
| 99.10 | 94 | 154 | 643 |
| 165.09 | 90 | 88 | 614 |
| 127.15 | 67 | 126 | 453 |
| 196.78 | 35 | 56 | 241 |
| 211.74 | 35 | 41 | 235 |
| 98.24 | 25 | 155 | 170 |
| 169.13 | 21 | 84 | 144 |
| 155.28 | 19 | 98 | 132 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OMe)-B(none) | Flavone | 7-Methoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(none) | Flavone | 6-Methoxyflavone |
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OH)-B(none) | 2-substituted Isoflavone | 7-Hydroxy-2-methylisoflavone |
| Level: 3, プリカーサーm/z: 271.18387 |
| Splash: splash10-0pbd-2890000000-a8c9f09eee87f4d02189 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 207.15 | 75 | 64 | 1000 |
| 253.35 | 73 | 18 | 971 |
| 193.16 | 55 | 78 | 741 |
| 156.08 | 33 | 115 | 437 |
| 177.14 | 32 | 94 | 428 |
| 95.03 | 30 | 176 | 397 |
| 145.16 | 29 | 126 | 384 |
| 204.85 | 20 | 66 | 273 |
| 91.10 | 20 | 180 | 260 |
| 235.15 | 18 | 36 | 235 |
| 157.88 | 18 | 113 | 234 |
| 378.81 | 16 | -108 | 215 |
| 127.11 | 15 | 144 | 202 |
| 129.14 | 15 | 142 | 196 |
| 243.11 | 13 | 28 | 170 |
| 211.02 | 8 | 60 | 106 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.097 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.087 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.080 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.080 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.080 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.080 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.080 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.080 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.077 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.077 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.077 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.077 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.077 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.042 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.042 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.042 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.038 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.038 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.038 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.038 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.038 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.038 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.038 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.038 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.038 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.037 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.037 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 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 |