ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #10323 MN MID: SE203_S11_M90 |
| m/z: 328.24814, RT: 88.27, 強度: 7988, ログ強度: 0.33, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (40 names) 6-Methylgingediol;9,10-epoxy-13-oxo-11-octadecenoic acid;16-hydroperoxy-9Z,12,14E-octadecatrienoic acid;7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid;10-[(1S,3R,4R,6S,7S)-3-ethyl-6-hydroxy-2-oxabic... |
| DBごとのヒット数: ALL 34 KG 7 KN 6 HM 4 LM 17 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C18H30O4 | 310.21441 | -0.294 | 6-Methylgingediol | HMDB: HMDB0303099 |
| C18H30O4 | 310.21441 | -0.294 | 7-(5S-hydroxy-2-oxo-2-pentylcyclohex-1-en-yl)heptanoic acid | LipidMAPS: LMFA02000410, LMFA02000411 |
| C18H30O4 | 310.21441 | -0.294 | 9,10-epoxy-13-oxo-11-octadecenoic acid | LipidMAPS: LMFA02000279 |
| C18H30O4 | 310.21441 | -0.294 | 16-hydroperoxy-9Z,12,14E-octadecatrienoic acid | LipidMAPS: LMFA02000111 |
| C18H30O4 | 310.21441 | -0.294 | (9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid | KEGG: C07357 LipidMAPS: LMFA02000226 |
| C18H30O4 | 310.21441 | -0.294 | 10-[(1S,3R,4R,6S,7S)-3-ethyl-6-hydroxy-2-oxabicyclo[2.2.1]hept-7-yl]dec-9Z-enoic acid | LipidMAPS: LMFA02000387 |
| C18H30O4 | 310.21441 | -0.294 | 10-[(1R,2S,3S,5S)-3-(1-hydroxypropyl)-6-oxabicyclo[3.1.0]hex-2-yl]dec-9Z-enoic acid | LipidMAPS: LMFA02000386 |
| C18H30O4 | 310.21441 | -0.294 | 9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000019 |
| C18H30O4 | 310.21441 | -0.294 | Gallicynoic acid D | KNApSAcK: C00039249 LipidMAPS: LMFA01050578 |
| C18H30O4 | 310.21441 | -0.294 | Porrigenic acid | KNApSAcK: C00031076 LipidMAPS: LMFA01060225 |
| C18H30O4 | 310.21441 | -0.294 | 11-oxo-(12,13)-epoxy-(9Z)-octadecenoic acid | LipidMAPS: LMFA02000404 |
| C18H30O4 | 310.21441 | -0.294 | 2-(2Z-octentyl)-4Z-decene-1,10-dioic acid | LipidMAPS: LMFA01170144 |
| C18H30O4 | 310.21441 | -0.294 | 9(S)-HPOT | KEGG: C16321, C19936 LipidMAPS: LMFA02000018, LMFA02000108 |
| C18H30O4 | 310.21441 | -0.294 | 18-hydroxy-5-oxo-octadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000396 |
| C18H30O4 | 310.21441 | -0.294 | 13(S)-HPOT | HMDB: HMDB0301803 KEGG: C04785 KNApSAcK: C00000364, C00000389 LipidMAPS: LMFA02000052, LMFA02000110 |
| C18H30O4 | 310.21441 | -0.294 | Hygrophorone C12 | KNApSAcK: C00050792, C00050793 |
| C18H30O4 | 310.21441 | -0.294 | 12,17 | LipidMAPS: LMFA03000023 |
| C18H30O4 | 310.21441 | -0.294 | 9-Hydroxy-12-oxo-10(E),15(Z)-octadecadienoic acid | KEGG: C21923 |
| C18H30O4 | 310.21441 | -0.294 | Dihydroalbocycline | KEGG: C15753 KNApSAcK: C00016029 |
| C18H30O4 | 310.21441 | -0.294 | (9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate | HMDB: [-1]HMDB0303985 LipidMAPS: LMFA02000114 |
| C18H30O4 | 310.21441 | -0.294 | 2-(2Z,5Z-octadienyl)-decane-1,10-dioic acid | LipidMAPS: LMFA01170142 |
| C18H30O4 | 310.21441 | -0.294 | (8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate | KEGG: C20704 |
| C18H30O4 | 310.21441 | -0.294 | 13S-hydroperoxy-6Z,9Z,11E-octadecatrienoic acid | LipidMAPS: LMFA02000112 |
| C18H30O4 | 310.21441 | -0.294 | Auxin b | HMDB: HMDB0038484 |
| C18H30O4 | 310.21441 | -0.294 | 6,9-Octadecadienedioic acid | KNApSAcK: C00007431 |
| C18H30O4 | 310.21441 | -0.294 | 8-((1R,2S)-2-((S,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid | LipidMAPS: LMFA02030027, LMFA02030028 |
| C18H30O4 | 310.21441 | -0.294 | 9-hydroxy-10-oxo-12(Z),15(Z)-octadecadienoic acid | LipidMAPS: LMFA02000393 |
| C18H30O4 | 310.21441 | -0.294 | 12-oxo-9R-hydroxy-10E-octadecen-13R-olide | LipidMAPS: LMFA07040156 |
| C18H30O4 | 310.21441 | -0.294 | 2-(2Z-pentyl)-4Z-tridecene-1,13-dioic acid | LipidMAPS: LMFA01170143 |
| C18H30O4 | 310.21441 | -0.294 | 8-(2-butyl-6R-hydroxy-3-oxocyclohex-1-en-yl)octanoic acid | LipidMAPS: LMFA02000408, LMFA02000409 |
| C18H30O4 | 310.21441 | -0.294 | Sterebin A | HMDB: HMDB0035337 KNApSAcK: C00023382 |
| C18H30O4 | 310.21441 | -0.294 | 12(13)Ep-9-KODE | HMDB: HMDB0013623, HMDB0246689 LipidMAPS: LMFA02000247 |
| C18H30O4 | 310.21441 | -0.294 | (11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid | HMDB: HMDB0033505, HMDB0302824, HMDB0302825 |
| C18H30O4 | 310.21441 | -0.294 | 13R-hydroxy-8-oxo-octadeca-9E,11E-dienoic acid | LipidMAPS: LMFA02000390 |
| C18H30O4 | 310.21441 | -0.294 | 15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid | LipidMAPS: LMFA02000030 |
| C18H30O4 | 310.21441 | -0.294 | 2(R)-HPOT | KEGG: C16341 |
| C18H30O4 | 310.21441 | -0.294 | 12-hydroperoxy-9Z,13E,15-octadecatrienoic acid | LipidMAPS: LMFA02000109 |
| C18H30O4 | 310.21441 | -0.294 | 12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid | KNApSAcK: C00000390 LipidMAPS: LMFA02000020 |
| C18H30O4 | 310.21441 | -0.294 | Octadeca-2,4-dienedioic acid | HMDB: HMDB0242188 |
| C18H30O4 | 310.21441 | -0.294 | 11-oxo-9,10-epoxy-(12Z)-octadecenoate | LipidMAPS: LMFA02000406 |
| C18H30O4 | 310.21441 | -0.294 | 11R,12R-epoxy-8-oxo-9E-octadecenoic acid | LipidMAPS: LMFA02000389 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 328.24786 |
| Splash: splash10-03di-0059000000-5dbabe96de3e9e9d0188 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 310.35 | 1075 | 18 | 1000 |
| 311.20 | 623 | 17 | 579 |
| 309.26 | 544 | 19 | 505 |
| 293.32 | 385 | 35 | 358 |
| 234.07 | 221 | 94 | 205 |
| 216.09 | 208 | 112 | 193 |
| 230.18 | 129 | 98 | 119 |
| 292.45 | 96 | 36 | 89 |
| 214.95 | 88 | 113 | 81 |
| 249.26 | 86 | 79 | 80 |
| 233.07 | 75 | 95 | 70 |
| 227.14 | 69 | 101 | 64 |
| 229.11 | 64 | 99 | 59 |
| 154.73 | 63 | 174 | 58 |
| 213.11 | 58 | 115 | 54 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 311.19739 |
| Splash: splash10-0006-0090000000-8d30dce47c4d54e50c10 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 293.24 | 197 | 18 | 1000 |
| 292.31 | 60 | 19 | 305 |
| 275.14 | 34 | 36 | 171 |
| 282.13 | 20 | 29 | 99 |
| 267.96 | 19 | 43 | 98 |
| 156.10 | 15 | 155 | 77 |
| 281.25 | 14 | 30 | 71 |
| 170.13 | 12 | 141 | 61 |
| 254.11 | 11 | 57 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | 2-Benzyl-2-hydroxydihydrobenzofuran | Castillene B |
| 0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Dihydrochalcone beta-ol | Ovalitenin B |
| 0.000 | [Flavone]-A(2OH, 1(2-Oxoethyl))-B(none) | Flavone | 6-(2-Oxoethyl)-5,7-dihydroxyflavone |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone A |
| 0.000 | [Coumestan]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | Flemichapparin C |
| Level: 3, プリカーサーm/z: 310.35007 |
| Splash: splash10-0006-0491000000-f900d9d3637f3a01fb67 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 292.34 | 80 | 18 | 1000 |
| 282.38 | 59 | 28 | 735 |
| 216.18 | 34 | 94 | 424 |
| 242.16 | 28 | 68 | 350 |
| 129.98 | 27 | 180 | 340 |
| 155.94 | 27 | 154 | 335 |
| 300.06 | 22 | 10 | 279 |
| 129.03 | 20 | 181 | 255 |
| 244.30 | 18 | 66 | 230 |
| 141.85 | 18 | 168 | 230 |
| 168.92 | 12 | 141 | 151 |
| 111.98 | 11 | 198 | 136 |
| 280.98 | 10 | 29 | 129 |
| 215.07 | 10 | 95 | 123 |
| 213.85 | 10 | 96 | 122 |
| 310.28 | 10 | 0 | 120 |
| 268.25 | 9 | 42 | 114 |
| 172.26 | 9 | 138 | 114 |
| 108.99 | 8 | 201 | 99 |
| 227.50 | 8 | 83 | 95 |
FlavonoidSearch結果
ヒットなし