ピーク情報
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かき 甘がき 生
pos
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| Peak #818 MN MID: SE123_S070491_M90 |
| m/z: 289.09177, RT: 12.03, 強度: 38666, ログ強度: 1.01, アダクト: [M-3(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 112 |
| DB検索結果: (25 names) Lactulose;Sakebiose;Nigerose;Inulobiose;Trehalose;Turanose;Gentiobiose;Isomaltulose;Sakebiose;Lactose;Melibiose;Sophorose;Trehalulose;Kojibiose;Sucrose;Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose;... |
| DBごとのヒット数: ALL 23 KG 15 KN 4 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.136, MS3: 0.068 |
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 |
|---|---|---|---|---|
| C12H22O11 | 342.11621 | -0.070 | Lactulose | HMDB: HMDB0000740 KEGG: C07064 |
| C12H22O11 | 342.11621 | -0.070 | Sakebiose | HMDB: HMDB0006603, HMDB0259415 KNApSAcK: C00050493 |
| C12H22O11 | 342.11621 | -0.070 | Inulobiose | HMDB: HMDB0029898, HMDB0304763 KEGG: C01711 |
| C12H22O11 | 342.11621 | -0.070 | Trehalose | HMDB: HMDB0000975, HMDB0029880 KEGG: C01083 KNApSAcK: C00001152 |
| C12H22O11 | 342.11621 | -0.070 | Gentiobiose | HMDB: HMDB0259486 KNApSAcK: C00018660, C00053253 |
| C12H22O11 | 342.11621 | -0.070 | Turanose | HMDB: HMDB0011740, HMDB0260157 KEGG: C19636 KNApSAcK: C00053105 |
| C12H22O11 | 342.11621 | -0.070 | Melibiulose | HMDB: HMDB0247101 KEGG: C19634 KNApSAcK: C00053368 |
| C12H22O11 | 342.11621 | -0.070 | Nigerose | HMDB: HMDB0029882, HMDB0060068, HMDB0242694 KEGG: C01518, C02048, C04147, C19773, C22512 KNApSAcK: C00001137 |
| C12H22O11 | 342.11621 | -0.070 | beta-Lactose | HMDB: HMDB0000055, HMDB0000163, HMDB0000186, HMDB0029902, HMDB0029933, HMDB0033368, HMDB0037138, HMDB0041627, HMDB0246552 KEGG: C01970, C01971, C06422, C20861, C00185, C00208, C00897, C02964, C00243, C06421, C20236, C22492 KNApSAcK: C00001134, C00001136, C00001140, C00050427 |
| C12H22O11 | 342.11621 | -0.070 | Melibiose | HMDB: HMDB0000048, HMDB0002923, HMDB0006792, HMDB0038489, HMDB0248216 KEGG: C00252, C01728, C05402, C08240, C05400 KNApSAcK: C00001142 |
| C12H22O11 | 342.11621 | -0.070 | Sophorose | HMDB: HMDB0252573 KEGG: C08250, C15548, C22632, C21336 KNApSAcK: C00001149 |
| C12H22O11 | 342.11621 | -0.070 | Trehalulose | HMDB: HMDB0039727 |
| C12H22O11 | 342.11621 | -0.070 | Kojibiose | HMDB: HMDB0011742 KEGG: C19632 KNApSAcK: C00050477 |
| C12H22O11 | 342.11621 | -0.070 | Sucrose | HMDB: HMDB0000258, HMDB0246276 KEGG: C00089, C18068, C04219 KNApSAcK: C00001151 |
| C12H22O11 | 342.11621 | -0.070 | Maltulose | KEGG: C19633 |
| C12H22O11 | 342.11621 | -0.070 | beta-D-Galf-(1->5)-beta-D-galactofuranoside | KEGG: C22958 |
| C12H22O11 | 342.11621 | -0.070 | (3S,4R,5S)-3,4,5,6-Tetrahydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one | HMDB: HMDB0260158 |
| C12H22O11 | 342.11621 | -0.070 | Palatinose | HMDB: HMDB0256083 KEGG: C01742 |
| C12H22O11 | 342.11621 | -0.070 | 4-O-beta-D-Mannopyranosyl-D-mannose | HMDB: HMDB0242553 KNApSAcK: C00053459 |
| C12H22O11 | 342.11621 | -0.070 | Difructan | KNApSAcK: C00055102 |
| C12H22O11 | 342.11621 | -0.070 | Galactinol | HMDB: HMDB0005826, HMDB0039876 KEGG: C01235 KNApSAcK: C00001162, C00038295 |
| C12H22O11 | 342.11621 | -0.070 | Levanbiose | KEGG: C01725 |
| C12H22O11 | 342.11621 | -0.070 | Glucinol | HMDB: HMDB0039237 |
| C12H22O11 | 342.11621 | -0.070 | Maltulose | HMDB: HMDB0029919 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 289.09177 |
| Splash: splash10-00fr-0590000000-78bfa384fe766eee1344 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.01 | 2057 | 18 | 1000 |
| 126.98 | 1215 | 162 | 590 |
| 253.01 | 911 | 36 | 442 |
| 223.06 | 323 | 66 | 157 |
| 108.98 | 299 | 180 | 145 |
| 144.94 | 208 | 144 | 101 |
| 211.06 | 193 | 78 | 93 |
| 162.88 | 143 | 126 | 69 |
| 98.97 | 137 | 190 | 66 |
| 241.02 | 134 | 48 | 65 |
| 243.12 | 134 | 46 | 65 |
| 198.99 | 114 | 90 | 55 |
| 193.00 | 112 | 96 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.136 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.136 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.136 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.130 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.130 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.100 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.095 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.095 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.095 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.095 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.067 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 0.063 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.063 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.050 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.048 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.045 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.045 | [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: 126.93547 |
| Splash: splash10-0002-9300000000-6a962213d29d0171cc8a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 98.96 | 93 | 28 | 1000 |
| 108.98 | 35 | 18 | 375 |
| 70.68 | 6 | 56 | 69 |
| 80.94 | 5 | 46 | 57 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 271.04193 |
| Splash: splash10-0r7j-1950000000-cd6f3b2c3b4727c9f59e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 253.22 | 30 | 18 | 1000 |
| 180.96 | 29 | 90 | 960 |
| 96.98 | 25 | 174 | 828 |
| 162.91 | 22 | 108 | 740 |
| 223.05 | 18 | 48 | 610 |
| 108.83 | 18 | 162 | 587 |
| 207.06 | 16 | 64 | 523 |
| 126.95 | 15 | 144 | 485 |
| 122.95 | 13 | 148 | 416 |
| 241.19 | 11 | 30 | 363 |
| 235.14 | 11 | 36 | 357 |
| 191.06 | 11 | 80 | 353 |
| 110.93 | 9 | 160 | 284 |
| 210.92 | 6 | 60 | 193 |
| 80.99 | 5 | 190 | 175 |
| 114.76 | 5 | 156 | 172 |
| 169.14 | 5 | 102 | 163 |
| 179.05 | 5 | 92 | 162 |
| 161.04 | 5 | 110 | 157 |
| 188.94 | 5 | 82 | 153 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.121 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.118 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.115 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.074 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.074 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.069 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.067 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.067 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.067 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.036 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.036 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.036 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.036 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.036 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.033 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.033 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.033 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.033 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.033 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.033 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.033 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.033 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.033 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.033 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.033 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.033 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.033 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.033 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 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 |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
|---|