ピーク情報
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パセリ 葉
pos
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| Peak #9305 MN MID: SE61_S21_M90 |
| m/z: 381.20350, RT: 78.28, 強度: 22627, ログ強度: 0.77, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (75 names) Velamolone acetate;Kuhistanol G;Phyllospinarone;Metachromin A;(-)-Metachromin A;3-Dehydroxyl-20-acetylpresinularolide B;(+)-3-Dehydroxyl-20-acetylpresinularolide B;3-Methoxy-16-methylestra-1,3,5(10)-t... |
| DBごとのヒット数: ALL 60 KG 4 KN 32 HM 3 LM 21 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.118 |
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 |
|---|---|---|---|---|
| C22H30O4 | 358.21441 | -0.364 | Velamolone acetate | KNApSAcK: C00049324 |
| C22H30O4 | 358.21441 | -0.364 | Kuhistanol G | KNApSAcK: C00033098 |
| C22H30O4 | 358.21441 | -0.364 | Metachromin A | KNApSAcK: C00046134 |
| C22H30O4 | 358.21441 | -0.364 | Phyllospinarone | KNApSAcK: C00039995 |
| C22H30O4 | 358.21441 | -0.364 | 3-Dehydroxyl-20-acetylpresinularolide B | KNApSAcK: C00038252 |
| C22H30O4 | 358.21441 | -0.364 | 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate | KEGG: C14974 |
| C22H30O4 | 358.21441 | -0.364 | 5-epi-Ilimaquinone | KNApSAcK: C00029562, C00030510 |
| C22H30O4 | 358.21441 | -0.364 | Cannabidiolic acid | HMDB: HMDB0249587 KEGG: C10784 KNApSAcK: C00002642 LipidMAPS: LMPK13120003 |
| C22H30O4 | 358.21441 | -0.364 | Sorgoleone | HMDB: HMDB0033443 KNApSAcK: C00000254 LipidMAPS: LMPK15050001 |
| C22H30O4 | 358.21441 | -0.364 | (R,4Z,7Z,11E)-10-hydroxy-12-((1S,5S)-4-oxo-5-((Z)-pent-2-en-1-yl)cyclopent-2-en-1-yl)dodeca-4,7,11-trienoic acid | LipidMAPS: LMFA04010475, LMFA04010476, LMFA04010477, LMFA04010478, LMFA04010479, LMFA04010480, LMFA04010481, LMFA04010482 |
| C22H30O4 | 358.21441 | -0.364 | 21-Hydroxy-19-methoxyarenarone | KNApSAcK: C00046992 |
| C22H30O4 | 358.21441 | -0.364 | 18-Oxoaustrochaparol acetate | KNApSAcK: C00022317 |
| C22H30O4 | 358.21441 | -0.364 | (R,4Z,8E)-7-hydroxy-9-((1S,5S)-5-((2Z,5Z)-octa-2,5-dien-1-yl)-4-oxocyclopent-2-en-1-yl)nona-4,8-dienoic acid | LipidMAPS: LMFA04010467, LMFA04010468, LMFA04010469, LMFA04010470, LMFA04010471, LMFA04010472, LMFA04010473, LMFA04010474 |
| C22H30O4 | 358.21441 | -0.364 | Xeniolide C | KNApSAcK: C00050408 |
| C22H30O4 | 358.21441 | -0.364 | Elaeochytrin B | KNApSAcK: C00033805 |
| C22H30O4 | 358.21441 | -0.364 | 24-dinor-3-oxo,12alpha-hydroxy-chola-1,4-dien-22-oic acid | LipidMAPS: LMST04050018 |
| C22H30O4 | 358.21441 | -0.364 | Bolinaquinone | KNApSAcK: C00045689 |
| C22H30O4 | 358.21441 | -0.364 | (4Z,7Z)-9-((1R,2R)-2-((R,1E,5Z)-3-hydroxyocta-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)nona-4,7-dienoic acid | LipidMAPS: LMFA04010443, LMFA04010444, LMFA04010445, LMFA04010446, LMFA04010447, LMFA04010448, LMFA04010449, LMFA04010450 |
| C22H30O4 | 358.21441 | -0.364 | Helotialin B | KNApSAcK: C00053298 |
| C22H30O4 | 358.21441 | -0.364 | Isospongiaquinone | KNApSAcK: C00047055 |
| C22H30O4 | 358.21441 | -0.364 | 7,8-epoxy-17S-hydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid | LipidMAPS: LMFA04000013, LMFA04000070, LMFA04000073 |
| C22H30O4 | 358.21441 | -0.364 | Palbinone | KNApSAcK: C00024094 |
| C22H30O4 | 358.21441 | -0.364 | Kuhistanol F | KNApSAcK: C00033097 |
| C22H30O4 | 358.21441 | -0.364 | Ialibinone C | KNApSAcK: C00046774, C00046775 |
| C22H30O4 | 358.21441 | -0.364 | Hippochromin A | KNApSAcK: C00046004 |
| C22H30O4 | 358.21441 | -0.364 | Jatrophenone | KNApSAcK: C00031919 |
| C22H30O4 | 358.21441 | -0.364 | Calyenone | KNApSAcK: C00022274 |
| C22H30O4 | 358.21441 | -0.364 | (4Z,7Z)-9-((1S,5S)-5-((R,1E,5Z)-3-hydroxyocta-1,5-dien-1-yl)-4-oxocyclopent-2-en-1-yl)nona-4,7-dienoic acid | LipidMAPS: LMFA04010507, LMFA04010508, LMFA04010509, LMFA04010510, LMFA04010511, LMFA04010512, LMFA04010513, LMFA04010514 |
| C22H30O4 | 358.21441 | -0.364 | Canrenoic acid | HMDB: HMDB0249591 LipidMAPS: LMST02030154 |
| C22H30O4 | 358.21441 | -0.364 | (Z)-6-((1R,2R)-2-((R,1E,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl)-5-oxocyclopent-3-en-1-yl)hex-4-enoic acid | LipidMAPS: LMFA04010435, LMFA04010436, LMFA04010437, LMFA04010438, LMFA04010439, LMFA04010440, LMFA04010441, LMFA04010442 |
| C22H30O4 | 358.21441 | -0.364 | Ferolin | KNApSAcK: C00011698 |
| C22H30O4 | 358.21441 | -0.364 | (R,E)-4-hydroxy-6-((1R,5R)-2-oxo-5-((2Z,5Z,8Z)-undeca-2,5,8-trien-1-yl)cyclopent-3-en-1-yl)hex-5-enoic acid | LipidMAPS: LMFA04010395, LMFA04010396, LMFA04010397, LMFA04010398, LMFA04010399, LMFA04010400, LMFA04010401, LMFA04010402 |
| C22H30O4 | 358.21441 | -0.364 | (R,4Z,7Z,11E)-10-hydroxy-12-((1R,5R)-2-oxo-5-((Z)-pent-2-en-1-yl)cyclopent-3-en-1-yl)dodeca-4,7,11-trienoic acid | LipidMAPS: LMFA04010411, LMFA04010412, LMFA04010413, LMFA04010414, LMFA04010415, LMFA04010416, LMFA04010417, LMFA04010418 |
| C22H30O4 | 358.21441 | -0.364 | delta9-tetrahydrocannabinolic acid | HMDB: HMDB0247584, [-1]HMDB0304545 KNApSAcK: C00053049 |
| C22H30O4 | 358.21441 | -0.364 | 3-((1S,5S)-5-((R,1E,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraen-1-yl)-4-oxocyclopent-2-en-1-yl)propanoic acid | LipidMAPS: LMFA04010483, LMFA04010484, LMFA04010485, LMFA04010486, LMFA04010487, LMFA04010488, LMFA04010489, LMFA04010490 |
| C22H30O4 | 358.21441 | -0.364 | Rubrorotiorin | KNApSAcK: C00053756 |
| C22H30O4 | 358.21441 | -0.364 | 4,5-epoxy-17R-hydroxy-6E,8E,10Z,13Z,15E,19Z-docosahexaenoic acid | LipidMAPS: LMFA04000078 |
| C22H30O4 | 358.21441 | -0.364 | 9-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2E,6E-dienoic acid | LipidMAPS: LMPR02020085 |
| C22H30O4 | 358.21441 | -0.364 | Kuhistanol D | KNApSAcK: C00046795 |
| C22H30O4 | 358.21441 | -0.364 | 17beta-Hydroxyandrost-4-ene-3,11-dione propionate | KEGG: C15009 |
| C22H30O4 | 358.21441 | -0.364 | 3,3'-Di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diol | HMDB: HMDB0244597 |
| C22H30O4 | 358.21441 | -0.364 | XR 368 | KNApSAcK: C00016541 |
| C22H30O4 | 358.21441 | -0.364 | (R,4Z,7Z,10Z,14E)-15-((1R,2R)-2-ethyl-5-oxocyclopent-3-en-1-yl)-13-hydroxypentadeca-4,7,10,14-tetraenoic acid | LipidMAPS: LMFA04010427, LMFA04010428, LMFA04010429, LMFA04010430, LMFA04010431, LMFA04010432, LMFA04010433, LMFA04010434 |
| C22H30O4 | 358.21441 | -0.364 | (R,4Z,8E)-7-hydroxy-9-((1R,2R)-2-((2Z,5Z)-octa-2,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)nona-4,8-dienoic acid | LipidMAPS: LMFA04010403, LMFA04010404, LMFA04010405, LMFA04010406, LMFA04010407, LMFA04010408, LMFA04010409, LMFA04010410 |
| C22H30O4 | 358.21441 | -0.364 | BE 40644 | KNApSAcK: C00016209 |
| C22H30O4 | 358.21441 | -0.364 | Corallidictyal C | KNApSAcK: C00038837, C00038838 |
| C22H30O4 | 358.21441 | -0.364 | 3-((1R,2R)-2-((R,1E,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraen-1-yl)-5-oxocyclopent-3-en-1-yl)propanoic acid | LipidMAPS: LMFA04010419, LMFA04010420, LMFA04010421, LMFA04010422, LMFA04010423, LMFA04010424, LMFA04010425, LMFA04010426 |
| C22H30O4 | 358.21441 | -0.364 | Hippochromin B | KNApSAcK: C00046005 |
| C22H30O4 | 358.21441 | -0.364 | Isohyatellaquinone | KNApSAcK: C00048736 |
| C22H30O4 | 358.21441 | -0.364 | (4Z,7Z,10Z)-12-((1R,2R)-2-((R,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopent-3-en-1-yl)dodeca-4,7,10-trienoic acid | LipidMAPS: LMFA04010451, LMFA04010452, LMFA04010453, LMFA04010454, LMFA04010455, LMFA04010456, LMFA04010457, LMFA04010458 |
| C22H30O4 | 358.21441 | -0.364 | 7R-acetoxy-dehydroabietic acid | LipidMAPS: LMPR0104050016 |
| C22H30O4 | 358.21441 | -0.364 | (R,4Z,7Z,10Z,14E)-15-((1S,5S)-5-ethyl-4-oxocyclopent-2-en-1-yl)-13-hydroxypentadeca-4,7,10,14-tetraenoic acid | LipidMAPS: LMFA04010491, LMFA04010492, LMFA04010493, LMFA04010494, LMFA04010495, LMFA04010496, LMFA04010497, LMFA04010498 |
| C22H30O4 | 358.21441 | -0.364 | (4Z,7Z,10Z)-12-((1S,5S)-5-((R,E)-3-hydroxypent-1-en-1-yl)-4-oxocyclopent-2-en-1-yl)dodeca-4,7,10-trienoic acid | LipidMAPS: LMFA04010515, LMFA04010516, LMFA04010517, LMFA04010518, LMFA04010519, LMFA04010520, LMFA04010521, LMFA04010522 |
| C22H30O4 | 358.21441 | -0.364 | (Z)-6-((1S,5S)-5-((R,1E,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl)-4-oxocyclopent-2-en-1-yl)hex-4-enoic acid | LipidMAPS: LMFA04010499, LMFA04010500, LMFA04010501, LMFA04010502, LMFA04010503, LMFA04010504, LMFA04010505, LMFA04010506 |
| C22H30O4 | 358.21441 | -0.364 | Kuhistanol E | KNApSAcK: C00033096 |
| C22H30O4 | 358.21441 | -0.364 | (R,E)-4-hydroxy-6-((1S,5S)-4-oxo-5-((2Z,5Z,8Z)-undeca-2,5,8-trien-1-yl)cyclopent-2-en-1-yl)hex-5-enoic acid | LipidMAPS: LMFA04010459, LMFA04010460, LMFA04010461, LMFA04010462, LMFA04010463, LMFA04010464, LMFA04010465, LMFA04010466 |
| C22H30O4 | 358.21441 | -0.364 | Cannabichromenic acid | KNApSAcK: C00053033 |
| C22H30O4 | 358.21441 | -0.364 | 11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide | HMDB: HMDB0035856 |
| C22H30O4 | 358.21441 | -0.364 | Tauranin | KNApSAcK: C00040453 |
| C22H30O4 | 358.21441 | -0.364 | Piperoic acid | HMDB: HMDB0040619 |
| C22H30O4 | 358.21441 | -0.364 | Ferutinin | HMDB: HMDB0252237 KNApSAcK: C00021389 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 381.20340 |
| Splash: splash10-03dj-0049000000-74d4a6b89e1cf6d2dd7c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 363.26 | 1267 | 18 | 1000 |
| 245.24 | 487 | 136 | 384 |
| 297.24 | 291 | 84 | 229 |
| 243.20 | 148 | 138 | 117 |
| 362.37 | 140 | 19 | 110 |
| 371.56 | 107 | 10 | 84 |
| 318.87 | 101 | 62 | 79 |
| 318.20 | 99 | 63 | 78 |
| 323.27 | 77 | 58 | 60 |
| 303.16 | 66 | 78 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH) | Coumestan | 1-O-Methylglycyrol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Glabrachromene I |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 7-Methoxypraecansone B |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | beta-Hydroxy(or Oxodihydro)chalcone | Praecanson A |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Ovalichromene A |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano)) | Flavanone | Abyssinoflavanone IV |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Isoglabrachromene |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavone | Multijuginol |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Muxiangrin II |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | Vellokaempferol 3,5-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe) | Flavonol | Vellokaempferol 3,4'-dimethyl ether |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Predurmillone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Robustic acid |
| Level: 3, プリカーサーm/z: 363.18912 |
| Splash: splash10-00nu-0379000000-455b88dfab54a5dd3bd6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 326.21 | 24 | 37 | 1000 |
| 286.32 | 24 | 77 | 997 |
| 344.80 | 22 | 18 | 932 |
| 182.99 | 16 | 180 | 655 |
| 268.81 | 14 | 94 | 584 |
| 345.54 | 8 | 18 | 315 |
| 285.43 | 7 | 78 | 297 |
| 167.98 | 6 | 195 | 238 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone |
| 0.083 | [Isoflavan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Isoflavan | Machaerol B |
| 0.043 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone |
| 0.043 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 8,3'-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(2OH) | Flavonol | 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none) | Flavanone | Isochamanetin |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none) | Flavanone | Chamanetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(2OH) | Flavonol | 5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Flavan 3-ol | 3,7,8,3',4'-Pentahydroxy-5-methoxyflavan 3-O-acetate |
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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