ピーク情報
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こむぎ ［パン類］ 食パン
pos
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| Peak #6903 MN MID: SE112_S010261_M90 |
| m/z: 295.22662, RT: 61.94, 強度: 304538, ログ強度: 2.10, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 29 |
| DB検索結果: (44 names) 11-HpODE;7S,8S-Dihydroxylinoleic acid;9-Hydroxy-12-oxo-15(Z)-octadecenoic acid;15,16-DiHODE;13-hydroxy-10-oxo-11E-octadecenoic acid;8,13-dihydroxy-9,11-octadecadienoic acid;(9R,12R,13S)-12,13-Dihydrox... |
| DBごとのヒット数: ALL 43 KG 12 KN 1 HM 2 LM 28 |
| 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 |
|---|---|---|---|---|
| C18H32O4 | 312.23006 | -0.491 | (9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid | HMDB: HMDB0062281 KEGG: C07338 LipidMAPS: LMFA02000115 |
| C18H32O4 | 312.23006 | -0.491 | (7S,8S)-DiHODE | KEGG: C07354 KNApSAcK: C00000399 LipidMAPS: LMFA02000224 |
| C18H32O4 | 312.23006 | -0.491 | 15,16-DiHODE | HMDB: HMDB0010208 LipidMAPS: LMFA02000047 |
| C18H32O4 | 312.23006 | -0.491 | 9-Hydroxy-12-oxo-15(Z)-octadecenoic acid | KEGG: C21924 |
| C18H32O4 | 312.23006 | -0.491 | (±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid | HMDB: HMDB0040900 LipidMAPS: LMFA02000249 |
| C18H32O4 | 312.23006 | -0.491 | 8,13-dihydroxy-9,11-octadecadienoic acid | LipidMAPS: LMFA02000166 |
| C18H32O4 | 312.23006 | -0.491 | (9R,12R,13S)-12,13-Dihydroxy-9,10-octadecadienoic acid | LipidMAPS: LMFA02000359 |
| C18H32O4 | 312.23006 | -0.491 | 12-hydroperoxy-9Z,13E-octadecadienoic acid | LipidMAPS: LMFA02000102 |
| C18H32O4 | 312.23006 | -0.491 | 18-Hydroperoxyoctadeca-2,4-dienoic acid | HMDB: HMDB0257631 |
| C18H32O4 | 312.23006 | -0.491 | 10,13-dihydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000357 |
| C18H32O4 | 312.23006 | -0.491 | octadecenedioate | HMDB: HMDB0304442 |
| C18H32O4 | 312.23006 | -0.491 | 9-oxo-13-hydroxy-11-octadecenoic acid | LipidMAPS: LMFA02000248 |
| C18H32O4 | 312.23006 | -0.491 | 9(S)-HPODE | HMDB: HMDB0006940, HMDB0062434, HMDB0242602, [-1]HMDB0303982 KEGG: C14827 KNApSAcK: C00000393 LipidMAPS: LMFA02000012, LMFA02000100, LMFA02000402 |
| C18H32O4 | 312.23006 | -0.491 | 9,14-dihydroxy-10,12-octadecadienoic acid | LipidMAPS: LMFA02000167 |
| C18H32O4 | 312.23006 | -0.491 | (+/-)-9,10-dihydroxy-6Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000049 |
| C18H32O4 | 312.23006 | -0.491 | 9,10-DiHODE | HMDB: HMDB0010221 LipidMAPS: LMFA02000045 |
| C18H32O4 | 312.23006 | -0.491 | 10,11-dihydroxyoctadeca-9E,12Z-dienoic acid | LipidMAPS: LMFA02000364 |
| C18H32O4 | 312.23006 | -0.491 | 10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000010 |
| C18H32O4 | 312.23006 | -0.491 | 9,10-Epoxy-13-hydroxy-11-octadecenoate | KEGG: C14834 LipidMAPS: LMFA02000278 |
| C18H32O4 | 312.23006 | -0.491 | 9-hydroxy-13-oxo-10-octadecenoic acid | LipidMAPS: LMFA02000172 |
| C18H32O4 | 312.23006 | -0.491 | 5S,8R-DiHODE | KEGG: C20186 LipidMAPS: LMFA02000284 |
| C18H32O4 | 312.23006 | -0.491 | 2-pentyl-4Z-tridecene-1,13-dioic acid | LipidMAPS: LMFA01170140 |
| C18H32O4 | 312.23006 | -0.491 | Dihydroxy-2-cyclopentene-1-tridecanoic acid | LipidMAPS: LMFA01140029 |
| C18H32O4 | 312.23006 | -0.491 | Hygrophorone A12 | KNApSAcK: C00050789 |
| C18H32O4 | 312.23006 | -0.491 | 9-hydroxy-10-oxo-12-octadecenoic acid | LipidMAPS: LMFA02000009, LMFA02000170 |
| C18H32O4 | 312.23006 | -0.491 | 9-hydroxy-12-oxo-10-octadecenoic acid | LipidMAPS: LMFA02000171 |
| C18H32O4 | 312.23006 | -0.491 | 13,16-Epoxy-12-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA03000024 |
| C18H32O4 | 312.23006 | -0.491 | (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid | HMDB: HMDB0003871, HMDB0062637 KEGG: C04717 KNApSAcK: C00000394 LipidMAPS: LMFA02000034, LMFA02000099, LMFA02000329 |
| C18H32O4 | 312.23006 | -0.491 | 12,13-DiHODE | HMDB: HMDB0010201 LipidMAPS: LMFA02000046 |
| C18H32O4 | 312.23006 | -0.491 | 8R,11S-dihydroxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000064 |
| C18H32O4 | 312.23006 | -0.491 | 11-hydroxy-9,10-epoxy-(12Z)-octadecenoate | LipidMAPS: LMFA02000277, LMFA02000407 |
| C18H32O4 | 312.23006 | -0.491 | 8(R)-HPODE | HMDB: HMDB0004706 KEGG: C14831 LipidMAPS: LMFA02000103, LMFA02000113 |
| C18H32O4 | 312.23006 | -0.491 | 12,13-Epoxy-9-hydroxy-10-octadecenoate | KEGG: C14832 LipidMAPS: LMFA02000013, LMFA02000158 |
| C18H32O4 | 312.23006 | -0.491 | Octadec-9-ene-1,18-dioic-acid | KEGG: C19618 KNApSAcK: C00007585 LipidMAPS: LMFA01170055 |
| C18H32O4 | 312.23006 | -0.491 | 2-(2Z-octenyl)-decane-1,10-dioic acid | LipidMAPS: LMFA01170141 |
| C18H32O4 | 312.23006 | -0.491 | 12-oxo-13-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000017, LMFA02000250 |
| C18H32O4 | 312.23006 | -0.491 | 12,13-epoxy-11-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000159, LMFA02000403 |
| C18H32O4 | 312.23006 | -0.491 | 5S,18-Dihydroxyoctadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000397 |
| C18H32O4 | 312.23006 | -0.491 | 9,10-dioxo-octadecanoic acid | LipidMAPS: LMFA02000264 |
| C18H32O4 | 312.23006 | -0.491 | 14-hydroperoxy-9,12-octadecadienoic acid | LipidMAPS: LMFA02000104 |
| C18H32O4 | 312.23006 | -0.491 | (8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate | KEGG: C19937, C20703 LipidMAPS: LMFA02000101, LMFA02000285, LMFA02000286 |
| C18H32O4 | 312.23006 | -0.491 | 9,10-12,13-Diepoxyoctadecanoate | KEGG: C14836 |
| C18H32O4 | 312.23006 | -0.491 | (+/-)-12,13-dihydroxy-6Z,9Z-octadecadienoic acid | LipidMAPS: LMFA02000050 |
| C18H32O4 | 312.23006 | -0.491 | (+/-)-6,7-dihydroxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000048 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 295.22644 |
| Splash: splash10-004i-0090000000-ed366a991638d20117aa |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 277.20 | 271507 | 18 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Auronol | Castillene A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Pongamol |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 6-Methoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Dihydroflavonol | 3-Methoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OH, 1Acetyl)-B(none) | 2-substituted Isoflavone | Glyzarin |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OMe) | Pterocarpan | 9-O-Methylneodunol |
| Level: 3, プリカーサーm/z: 277.19595 |
| Splash: splash10-0a4i-0890000000-c93ffb8d649feef80420 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 259.24 | 21078 | 18 | 1000 |
| 165.04 | 9546 | 112 | 452 |
| 241.12 | 8433 | 36 | 400 |
| 231.22 | 5580 | 46 | 264 |
| 163.05 | 5416 | 114 | 256 |
| 149.13 | 5401 | 128 | 256 |
| 207.09 | 4676 | 70 | 221 |
| 221.20 | 4238 | 56 | 201 |
| 161.12 | 3876 | 116 | 183 |
| 135.11 | 3620 | 142 | 171 |
| 175.11 | 3427 | 102 | 162 |
| 179.12 | 3088 | 98 | 146 |
| 193.19 | 3059 | 84 | 145 |
| 249.22 | 2952 | 28 | 140 |
| 235.20 | 2718 | 42 | 128 |
| 195.02 | 2575 | 82 | 122 |
| 121.00 | 2452 | 156 | 116 |
| 171.11 | 2288 | 106 | 108 |
| 185.14 | 2248 | 92 | 106 |
| 147.09 | 2243 | 130 | 106 |
FlavonoidSearch結果
ヒットなし
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 |
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