ピーク情報
|
あおのり 素干し
pos
|
| Peak #2426 MN MID: SE120_S090021_M90 |
| m/z: 325.23742, RT: 66.41, 強度: 20442, ログ強度: 0.81, アダクト: [M+CH3OH+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (32 names) 12,13-epoxy-10E,15Z-octadecadien-9-olide;7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid;Colnelenic acid;Ketochabrolic acid;17beta-Hydroxy-2-oxa-5alpha-androstan-3-one;Methyl [6]-paradol;13S-hydroxy-6Z,9Z,... |
| DBごとのヒット数: ALL 27 KG 8 KN 5 LM 14 |
| FlavonoidSearch最大スコア MS2: 0.188, MS3: - |
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 |
|---|---|---|---|---|
| C18H28O3 | 292.20384 | 0.297 | 12,13-epoxy-10E,15Z-octadecadien-9-olide | LipidMAPS: LMFA07040153 |
| C18H28O3 | 292.20384 | 0.297 | 7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid | LipidMAPS: LMFA01031262 |
| C18H28O3 | 292.20384 | 0.297 | Colnelenic acid | HMDB: HMDB0030996 KEGG: C16320 KNApSAcK: C00000448 LipidMAPS: LMFA10000002, LMFA10000017 |
| C18H28O3 | 292.20384 | 0.297 | Ketochabrolic acid | KNApSAcK: C00030533, C00030607 |
| C18H28O3 | 292.20384 | 0.297 | Methyl [6]-paradol | HMDB: HMDB0302136 KNApSAcK: C00035687 |
| C18H28O3 | 292.20384 | 0.297 | 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one | KEGG: C14911 |
| C18H28O3 | 292.20384 | 0.297 | 13S-hydroxy-6Z,9Z,11E,15Z-octadecatetraenoic acid | LipidMAPS: LMFA02000373 |
| C18H28O3 | 292.20384 | 0.297 | 4-oxo-2E,9E,17-octadecatrienoic acid | LipidMAPS: LMFA02000365 |
| C18H28O3 | 292.20384 | 0.297 | 9-oxo-10E,12Z,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000371 |
| C18H28O3 | 292.20384 | 0.297 | 4-oxo-2E,11Z,17-octadecatrienoic acid | LipidMAPS: LMFA02000366 |
| C18H28O3 | 292.20384 | 0.297 | [7]-Paradol | HMDB: HMDB0040806 KNApSAcK: C00035032 |
| C18H28O3 | 292.20384 | 0.297 | 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane | KNApSAcK: C00021112 |
| C18H28O3 | 292.20384 | 0.297 | 13-keto-9Z,11E,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000028 |
| C18H28O3 | 292.20384 | 0.297 | (-)-8-hydroxy-11E,17-octadecadien-9-ynoic acid | LipidMAPS: LMFA02000191 |
| C18H28O3 | 292.20384 | 0.297 | (9S,13S,15Z)-12-Oxophyto-10,15-dienoate | HMDB: HMDB0301804, HMDB0302724, [-1]HMDB0304018 KEGG: C01226, C13816 KNApSAcK: C00000365 LipidMAPS: LMFA02010001 |
| C18H28O3 | 292.20384 | 0.297 | 14,15-Dinor-13-oxo-7-labden-17-oic acid | KNApSAcK: C00023388 |
| C18H28O3 | 292.20384 | 0.297 | Panaquinquecol 1 | HMDB: HMDB0038035 LipidMAPS: LMFA05000686 |
| C18H28O3 | 292.20384 | 0.297 | 10-OPDA | KEGG: C16325 |
| C18H28O3 | 292.20384 | 0.297 | 8-hydroxy-10,12-octadecadiynoic acid | LipidMAPS: LMFA02000194 |
| C18H28O3 | 292.20384 | 0.297 | alpha-Licanic acid | KEGG: C08319 KNApSAcK: C00001222 LipidMAPS: LMFA02000273, LMFA02000297 |
| C18H28O3 | 292.20384 | 0.297 | 13-(3-oxo-1-cyclopentenyl)-4E-tridecenoic acid | LipidMAPS: LMFA01140104 |
| C18H28O3 | 292.20384 | 0.297 | 8-hydroxy-9,11-octadecadiynoic acid | LipidMAPS: LMFA02000193 |
| C18H28O3 | 292.20384 | 0.297 | 6-Hydroxyoctadeca-7,9-diynoic acid | LipidMAPS: LMFA01031024 |
| C18H28O3 | 292.20384 | 0.297 | (9Z)-10-{(1'R,2'S,3'S,5'S)-3-[(1''E)-prop-1''-en-1''-yl]-6'-oxabicyclo[3.1.0]hex-2'-yl}dec-9-enoic acid | LipidMAPS: LMFA02000392 |
| C18H28O3 | 292.20384 | 0.297 | (9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid | HMDB: [-1]HMDB0304017 KEGG: C04672 KNApSAcK: C00000363 LipidMAPS: LMFA02000053 |
| C18H28O3 | 292.20384 | 0.297 | Etherolenic acid | KEGG: C16319 LipidMAPS: LMFA10000007, LMFA10000009, LMFA10000003 |
| C18H28O3 | 292.20384 | 0.297 | 12-Oxo-9Z,13Z,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000310 |
| C18H28O3 | 292.20384 | 0.297 | 8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoic acid | LipidMAPS: LMFA02010020 |
| C18H28O3 | 292.20384 | 0.297 | 9-hydroxy-10E,14Z-octadecadien-12-ynoic acid | LipidMAPS: LMFA02000192 |
| C18H28O3 | 292.20384 | 0.297 | 9,10-EOT | KEGG: C16324 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 325.23752 |
| Splash: splash10-001i-0090000000-effe994e503ee706feba |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 233.11 | 26459 | 92 | 1000 |
| 215.11 | 12343 | 110 | 466 |
| 307.25 | 4792 | 18 | 181 |
| 251.25 | 2264 | 74 | 85 |
| 235.22 | 2062 | 90 | 77 |
| 135.08 | 1727 | 190 | 65 |
| 269.12 | 1624 | 56 | 61 |
| 205.16 | 1546 | 120 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.188 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.158 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.136 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.136 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.136 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.136 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.136 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.136 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.118 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.118 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.100 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.100 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.100 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |
| Level: 3, プリカーサーm/z: 233.12247 |
| Splash: splash10-014i-0490000000-76771837ffc913f21eb0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 215.21 | 6085 | 18 | 1000 |
| 135.01 | 999 | 98 | 164 |
| 121.01 | 878 | 112 | 144 |
| 205.14 | 743 | 28 | 122 |
| 149.06 | 598 | 84 | 98 |
| 173.15 | 511 | 60 | 83 |
| 124.89 | 358 | 108 | 58 |
| 159.09 | 341 | 74 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 215.20740 |
| Splash: splash10-05gj-0900000000-98e64dfd934a08d801cc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 172.99 | 1323 | 42 | 1000 |
| 158.99 | 1014 | 56 | 766 |
| 145.03 | 929 | 70 | 702 |
| 130.98 | 645 | 84 | 487 |
| 187.06 | 604 | 28 | 456 |
| 132.94 | 567 | 82 | 428 |
| 121.04 | 350 | 94 | 264 |
| 118.93 | 226 | 96 | 171 |
| 135.05 | 149 | 80 | 112 |
| 104.98 | 134 | 110 | 101 |
| 146.91 | 110 | 68 | 83 |
| 116.98 | 86 | 98 | 64 |
| 106.98 | 73 | 108 | 55 |
| 94.96 | 71 | 120 | 53 |
FlavonoidSearch結果
ヒットなし