ピーク情報
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イヌカタヒバ
pos
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| Peak #10614 MN MID: SE205_S02_M90 |
| m/z: 411.32593, RT: 93.30, 強度: 54182, ログ強度: 1.21, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (35 names) Stoloniferone E;(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol;1-Keto-24-methylcalcifediol;(7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol;(5Z,7E)-(1S,3S)-1-hydroxym... |
| DBごとのヒット数: ALL 30 KG 2 KN 10 HM 2 LM 16 |
| FlavonoidSearch最大スコア MS2: 0.083, 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 |
|---|---|---|---|---|
| C28H44O3 | 428.32905 | 0.396 | (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol | HMDB: HMDB0039602 |
| C28H44O3 | 428.32905 | 0.396 | Stoloniferone E | KNApSAcK: C00046431 LipidMAPS: LMST01031093 |
| C28H44O3 | 428.32905 | 0.396 | 1-Keto-24-methylcalcifediol | HMDB: HMDB0243913 LipidMAPS: LMST03060003 |
| C28H44O3 | 428.32905 | 0.396 | 9,10-seco-1,3,5(10),24(28)-ergostatetraen-3,8beta,9alpha-triol | LipidMAPS: LMST03010074 |
| C28H44O3 | 428.32905 | 0.396 | (7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol | LipidMAPS: LMST03010036, LMST03010037 |
| C28H44O3 | 428.32905 | 0.396 | (5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol | LipidMAPS: LMST03020578, LMST03020579 |
| C28H44O3 | 428.32905 | 0.396 | 3,5-Dihydroxyergosta-7,22-dien-6-one | HMDB: HMDB0031953 LipidMAPS: LMST01031190 |
| C28H44O3 | 428.32905 | 0.396 | 5alpha,8alpha-epidioxy-24-methyl-cholesta-6,24(28)-dien-3beta-ol | LipidMAPS: LMST01031273 |
| C28H44O3 | 428.32905 | 0.396 | Griffinisterone A | KNApSAcK: C00048720, C00048721 |
| C28H44O3 | 428.32905 | 0.396 | 3beta,4beta-dihydroxyergosta-24(28)-en-23-one | LipidMAPS: LMST01031162 |
| C28H44O3 | 428.32905 | 0.396 | (24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol | HMDB: HMDB0242655 LipidMAPS: LMST03010048, LMST03010049 |
| C28H44O3 | 428.32905 | 0.396 | Ercalcitriol | HMDB: HMDB0006225, HMDB0242362 LipidMAPS: LMST03010032, LMST03010033, LMST03010040, LMST03010041, LMST03010042, LMST03010043, LMST03010044, LMST03010045, LMST03010046, LMST03010047 |
| C28H44O3 | 428.32905 | 0.396 | Nandrolone decanoate | HMDB: HMDB0015694, HMDB0250911 KEGG: C08154 |
| C28H44O3 | 428.32905 | 0.396 | Griffinisterone G | KNApSAcK: C00048726 |
| C28H44O3 | 428.32905 | 0.396 | (5Z,7E,22E)-(3S-9,10-seco-5,7,10(19),22-ergostatetraene-3,4,25-triol | LipidMAPS: LMST03010079 |
| C28H44O3 | 428.32905 | 0.396 | Calendulasterolide | KNApSAcK: C00054986 |
| C28H44O3 | 428.32905 | 0.396 | (3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol | HMDB: HMDB0032108 |
| C28H44O3 | 428.32905 | 0.396 | 24R-methyl-ergosta-5,7,22E-trien-1,3beta,25-triol | LipidMAPS: LMST03030003 |
| C28H44O3 | 428.32905 | 0.396 | Methyl 3beta-hydroxy-cholest-5,22E-dien-19-oate | LipidMAPS: LMST01010337 |
| C28H44O3 | 428.32905 | 0.396 | 5alpha,9alpha-epoxy-ergosta-7,22E-dien-3beta,6beta-diol | LipidMAPS: LMST01031304, LMST01031305 |
| C28H44O3 | 428.32905 | 0.396 | (5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-3,24,26-triol | LipidMAPS: LMST03010050 |
| C28H44O3 | 428.32905 | 0.396 | Tylopiol B | KNApSAcK: C00047117 |
| C28H44O3 | 428.32905 | 0.396 | (5Z,7E,22E)-(1S,3R)-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020322 |
| C28H44O3 | 428.32905 | 0.396 | (5Z,7E,22E)-(1S,3R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020320, LMST03020323, LMST03020324 |
| C28H44O3 | 428.32905 | 0.396 | Gibberoketosterol C | KNApSAcK: C00041544 |
| C28H44O3 | 428.32905 | 0.396 | 4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol | HMDB: HMDB0062385, [-1]HMDB0304192 KEGG: C22112 LipidMAPS: LMST01010152, LMST01010522 |
| C28H44O3 | 428.32905 | 0.396 | Topsentisterol B5 | HMDB: HMDB0032863 KNApSAcK: C00041929 |
| C28H44O3 | 428.32905 | 0.396 | 11alpha-hydroxy-5beta,6beta-epoxy-ergost-2-en-1-one | LipidMAPS: LMST01031073 |
| C28H44O3 | 428.32905 | 0.396 | Topsentisterol B4 | HMDB: HMDB0034541 KNApSAcK: C00041928 LipidMAPS: LMST01031268 |
| C28H44O3 | 428.32905 | 0.396 | 5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol | HMDB: HMDB0037941 KNApSAcK: C00030200 LipidMAPS: LMST01031175, LMST01031274 |
| C28H44O3 | 428.32905 | 0.396 | 1,24(S)-Dihydroxyvitamin D2 | HMDB: HMDB0244149 LipidMAPS: LMST03010062 |
| C28H44O3 | 428.32905 | 0.396 | (7E,22E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol | LipidMAPS: LMST03010038, LMST03010039 |
| C28H44O3 | 428.32905 | 0.396 | (5Z,7E)-(1S,3R)-18-methylidene-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | LipidMAPS: LMST03020321 |
| C28H44O3 | 428.32905 | 0.396 | Variecoacetal B | KNApSAcK: C00033465 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 411.32565 |
| Splash: splash10-0udi-0092000000-62dab7eea25199e1ef6c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 253.20 | 33048 | 158 | 1000 |
| 254.21 | 14287 | 157 | 432 |
| 393.34 | 9954 | 18 | 301 |
| 365.40 | 3037 | 46 | 91 |
| 255.28 | 1884 | 156 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Toxicarolisoflavone |
| 0.071 | [Isoflavone]-A(1OMe, 1(C-Prenyl))-B(3OMe) | Isoflavone | Prebarbigerone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Catechin 3-O-p-hydroxybenzoate |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongapinone A |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(2OH, 1Geranyl) | Dihydrochalcone | 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydrochalcone alpha-ol | Kanzonol Y |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | 3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Dihydroflavonol | Gericudranin C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Dihydroflavonol | Gericudranin B |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Flavonol | Velloquercetin 3,3',4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,5,3'-trimethyl ether |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl))-B(2OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Preferrugone |
| 0.000 | [Isoflavone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Pre-5-methoxydurmillone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | Rotenone | Amorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Sumatrol |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Toxicarol |
| 0.000 | [6-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | 6-Hydroxyrotenone | 2,3,6-Trihydroxy-5''-isopropenyldihydrofurano[2'',3'':9,8]rotenone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | Tephrosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodalpanol |
| Level: 3, プリカーサーm/z: 254.21017 |
| Splash: splash10-000i-0290000000-052b342987169892f2e5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 239.14 | 6604 | 15 | 1000 |
| 197.08 | 1047 | 57 | 158 |
| 159.03 | 1042 | 95 | 157 |
| 225.12 | 880 | 29 | 133 |
| 226.25 | 721 | 28 | 109 |
| 183.12 | 467 | 71 | 70 |
| 211.17 | 437 | 43 | 66 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 253.20169 |
| Splash: splash10-059e-0910000000-3b6bdaa81db3a70d516c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 197.07 | 3487 | 56 | 1000 |
| 143.11 | 3422 | 110 | 981 |
| 171.10 | 2521 | 82 | 722 |
| 157.10 | 1783 | 96 | 511 |
| 159.12 | 1706 | 94 | 489 |
| 211.11 | 1414 | 42 | 405 |
| 185.10 | 1257 | 68 | 360 |
| 145.05 | 1173 | 108 | 336 |
| 183.07 | 1155 | 70 | 331 |
| 238.22 | 1145 | 15 | 328 |
| 225.23 | 1027 | 28 | 294 |
| 173.17 | 456 | 80 | 130 |
| 224.25 | 424 | 29 | 121 |
| 169.00 | 377 | 84 | 108 |
| 146.98 | 377 | 106 | 108 |
| 131.01 | 336 | 122 | 96 |
| 133.01 | 253 | 120 | 72 |
| 120.99 | 237 | 132 | 68 |
| 127.88 | 215 | 125 | 61 |
| 90.97 | 204 | 162 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OMe)-B(none) | Flavone | 7-Methoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(none) | Flavone | 6-Methoxyflavone |
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OH)-B(none) | 2-substituted Isoflavone | 7-Hydroxy-2-methylisoflavone |