ピーク情報
|
きく 花びら 生 ピンク
pos
|
| Peak #4533 MN MID: SE123_S060582_M90 |
| m/z: 493.25819, RT: 64.84, 強度: 76475, ログ強度: 1.44, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (173 names) Gmelofuran;Hibiscone C;Caprariolide D;6-(2-Prop-2-ynoxyphenyl)hexanoic acid;Ludartin;1-epimenverin B;(-)-1-epimenverin B;Hanegoketrial;Arbiglovin;(+)-Tuberiferine;Tuberiferin;Tubiferin;[3aS-(3aalpha,5... |
| DBごとのヒット数: ALL 133 KG 10 KN 115 HM 8 |
| FlavonoidSearch最大スコア MS2: 0.048, 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 |
|---|---|---|---|---|
| C15H18O3 | 246.12559 | -0.553 | Gmelofuran | KNApSAcK: C00020100 |
| C15H18O3 | 246.12559 | -0.553 | Caprariolide D | KNApSAcK: C00046648, C00046649, C00046650, C00046651 |
| C15H18O3 | 246.12559 | -0.553 | 6-(2-Prop-2-ynoxyphenyl)hexanoic acid | HMDB: HMDB0256719 |
| C15H18O3 | 246.12559 | -0.553 | Ludartin | KNApSAcK: C00037436 |
| C15H18O3 | 246.12559 | -0.553 | 1-epimenverin B | KNApSAcK: C00048583 |
| C15H18O3 | 246.12559 | -0.553 | Hanegoketrial | KNApSAcK: C00021254 |
| C15H18O3 | 246.12559 | -0.553 | Arbiglovin | KNApSAcK: C00020833 |
| C15H18O3 | 246.12559 | -0.553 | (+)-Tuberiferine | KNApSAcK: C00013078 |
| C15H18O3 | 246.12559 | -0.553 | Shizukanolide C | KNApSAcK: C00040292 |
| C15H18O3 | 246.12559 | -0.553 | Isohypoglabric acid | KNApSAcK: C00033956 |
| C15H18O3 | 246.12559 | -0.553 | Spirafolide | KNApSAcK: C00012051 |
| C15H18O3 | 246.12559 | -0.553 | [3aR-(3aalpha,8abeta,9aalpha)]-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-carboxaldehyde | KNApSAcK: C00012930 |
| C15H18O3 | 246.12559 | -0.553 | Aquatolide | KNApSAcK: C00021967 |
| C15H18O3 | 246.12559 | -0.553 | Morinin A | KNApSAcK: C00049483 |
| C15H18O3 | 246.12559 | -0.553 | Thieleanine | KNApSAcK: C00020949 |
| C15H18O3 | 246.12559 | -0.553 | [3aR-(3aalpha,4aalpha,6beta,7aalpha,9abeta)]-Decahydro-6-hydroxy-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2(3H)-one | KNApSAcK: C00020996 |
| C15H18O3 | 246.12559 | -0.553 | 4-Oxolasiosperman | KNApSAcK: C00011477 |
| C15H18O3 | 246.12559 | -0.553 | 6beta-Hydroxy-9,10-didehydrofuranoeremophilan-1-one | KNApSAcK: C00017434 |
| C15H18O3 | 246.12559 | -0.553 | Istanbulin C | KNApSAcK: C00017438 |
| C15H18O3 | 246.12559 | -0.553 | Neoambrosin | KNApSAcK: C00021142 |
| C15H18O3 | 246.12559 | -0.553 | Populene A | KNApSAcK: C00040050, C00040051 |
| C15H18O3 | 246.12559 | -0.553 | Cybrodal | KNApSAcK: C00011936 |
| C15H18O3 | 246.12559 | -0.553 | Annuolide C | HMDB: HMDB0036488 |
| C15H18O3 | 246.12559 | -0.553 | Asteriscunolide A | KNApSAcK: C00012439, C00012440, C00012441, C00012442 |
| C15H18O3 | 246.12559 | -0.553 | Alloisosantonin | KNApSAcK: C00013077 |
| C15H18O3 | 246.12559 | -0.553 | Plicatin B | KNApSAcK: C00036200 |
| C15H18O3 | 246.12559 | -0.553 | Lagopodin A | HMDB: HMDB0035902 KNApSAcK: C00012525 |
| C15H18O3 | 246.12559 | -0.553 | Desacetoxymatricarin | KEGG: C09394, C09287 KNApSAcK: C00003205, C00003248 |
| C15H18O3 | 246.12559 | -0.553 | Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate | HMDB: HMDB0031900 |
| C15H18O3 | 246.12559 | -0.553 | Hispanolide | KNApSAcK: C00012188 |
| C15H18O3 | 246.12559 | -0.553 | Loxoprofen | HMDB: HMDB0041920 |
| C15H18O3 | 246.12559 | -0.553 | Bullerone | KNApSAcK: C00021906 |
| C15H18O3 | 246.12559 | -0.553 | Sericenic acid | KNApSAcK: C00012346, C00012348 |
| C15H18O3 | 246.12559 | -0.553 | Melicophyllone A | KNApSAcK: C00021255 |
| C15H18O3 | 246.12559 | -0.553 | Zederone | HMDB: HMDB0036767 KEGG: C17085 KNApSAcK: C00012324 |
| C15H18O3 | 246.12559 | -0.553 | [3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-3a,4a,5,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione | KNApSAcK: C00012943 |
| C15H18O3 | 246.12559 | -0.553 | Aromaticin | KEGG: C09300 KNApSAcK: C00003218, C00021143 |
| C15H18O3 | 246.12559 | -0.553 | Liabinolide | KNApSAcK: C00012388 |
| C15H18O3 | 246.12559 | -0.553 | [1aR-(1aalpha,4beta,4abeta,9aS*)]-1a,2,4,4a-tetrahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5(9H)-one | KNApSAcK: C00016969 |
| C15H18O3 | 246.12559 | -0.553 | Annuolide A | HMDB: HMDB0037801 KNApSAcK: C00054894 |
| C15H18O3 | 246.12559 | -0.553 | 5alpha-Hydroxy-eudesma-4(15),7(11),8(9)-trien-8,12-olide | KNApSAcK: C00020779 |
| C15H18O3 | 246.12559 | -0.553 | [3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one | KNApSAcK: C00012932 |
| C15H18O3 | 246.12559 | -0.553 | Freelingnite | KNApSAcK: C00011468 |
| C15H18O3 | 246.12559 | -0.553 | Ursialpinolide | KNApSAcK: C00012876 |
| C15H18O3 | 246.12559 | -0.553 | Zaluzanin C | KEGG: C09606, C17912 KNApSAcK: C00003397, C00021000 |
| C15H18O3 | 246.12559 | -0.553 | 8-Deoxyrupicolin A | KNApSAcK: C00020781 |
| C15H18O3 | 246.12559 | -0.553 | Sinodielide G | KNApSAcK: C00032156 |
| C15H18O3 | 246.12559 | -0.553 | Glabellin | KNApSAcK: C00020837, C00020838 |
| C15H18O3 | 246.12559 | -0.553 | Xerantholide | KEGG: C09605 KNApSAcK: C00003396, C00020950 |
| C15H18O3 | 246.12559 | -0.553 | Parahigginol D | KNApSAcK: C00049253 |
| C15H18O3 | 246.12559 | -0.553 | Ryomenin | KNApSAcK: C00020158 |
| C15H18O3 | 246.12559 | -0.553 | (E,E)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid | KNApSAcK: C00011454, C00011458 |
| C15H18O3 | 246.12559 | -0.553 | alpha-Santonin | HMDB: HMDB0302518 KEGG: C02206, C09545 KNApSAcK: C00003364, C00003365 LipidMAPS: LMPR0103190001, LMPR0103190004 |
| C15H18O3 | 246.12559 | -0.553 | Hydroxylindestrenolide | KNApSAcK: C00012934 |
| C15H18O3 | 246.12559 | -0.553 | Isosmyrnicordiolide | KNApSAcK: C00013206, C00013209 |
| C15H18O3 | 246.12559 | -0.553 | Curcolone | HMDB: HMDB0038188 KNApSAcK: C00012940 |
| C15H18O3 | 246.12559 | -0.553 | [3aS-(3aalpha,4alpha,4aalpha,5aalpha,6aalpha,6bbeta,7abeta)]-Decahydro-4-hydroxy-6b-methyl-3,5-bis(methylene)cycloprop[2,3]indeno[5,6-b]furan-2(3H)-one | KNApSAcK: C00013575 |
| C15H18O3 | 246.12559 | -0.553 | [2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid | KNApSAcK: C00012844 |
| C15H18O3 | 246.12559 | -0.553 | Cacalolide | KNApSAcK: C00017502 |
| C15H18O3 | 246.12559 | -0.553 | Pleurotellol | KNApSAcK: C00021797 |
| C15H18O3 | 246.12559 | -0.553 | Furanoeremophilane-6,9-dione | KNApSAcK: C00017420 |
| C15H18O3 | 246.12559 | -0.553 | Mansonone S | KNApSAcK: C00030730 |
| C15H18O3 | 246.12559 | -0.553 | Calomelanolactone | KNApSAcK: C00021483 |
| C15H18O3 | 246.12559 | -0.553 | 8-Hydroxypegolettiolide | KNApSAcK: C00012421 |
| C15H18O3 | 246.12559 | -0.553 | Phomallenic acid A | KNApSAcK: C00041755 LipidMAPS: LMFA01031182 |
| C15H18O3 | 246.12559 | -0.553 | Sinodielide D | KNApSAcK: C00032153 |
| C15H18O3 | 246.12559 | -0.553 | 3-Oxo-4,11(13)-ivaxallaradien-12-oic acid | KNApSAcK: C00021277 |
| C15H18O3 | 246.12559 | -0.553 | Estafiatin | KNApSAcK: C00020606 |
| C15H18O3 | 246.12559 | -0.553 | Ligudentatin A | KNApSAcK: C00042697 |
| C15H18O3 | 246.12559 | -0.553 | [S-(E,E)]-5,8,9,11a-Tetrahydro-3,6,10-trimethylcyclodeca[b]furan-2,4-dione | KNApSAcK: C00012222 |
| C15H18O3 | 246.12559 | -0.553 | Chanootin | KNApSAcK: C00021908 |
| C15H18O3 | 246.12559 | -0.553 | 2-Oxo-eremophila-1(10),11(13)-dien-12,8beta-olide | KNApSAcK: C00017439 |
| C15H18O3 | 246.12559 | -0.553 | 3-Oxoxanthanodiene | KNApSAcK: C00017330 |
| C15H18O3 | 246.12559 | -0.553 | Virginin | KNApSAcK: C00012944 |
| C15H18O3 | 246.12559 | -0.553 | Xanthipungolide | KNApSAcK: C00000497, C00022021 |
| C15H18O3 | 246.12559 | -0.553 | Mansorin A | KNApSAcK: C00030731 |
| C15H18O3 | 246.12559 | -0.553 | 8-Deoxyrupicolin B | KNApSAcK: C00020782 |
| C15H18O3 | 246.12559 | -0.553 | 6,7,9,10-Tetradehydroasteriscanolide | KNApSAcK: C00021439 |
| C15H18O3 | 246.12559 | -0.553 | Zedoarol | HMDB: HMDB0038202 KEGG: C17490 KNApSAcK: C00020430 |
| C15H18O3 | 246.12559 | -0.553 | Tubipolide D | KNApSAcK: C00046478 |
| C15H18O3 | 246.12559 | -0.553 | Brachylaenolide | KNApSAcK: C00013050 |
| C15H18O3 | 246.12559 | -0.553 | (Z)-3-[4-[(3-Methyl-2-butenyl)oxy]phenyl]-2-propenoic acid methyl ester | KNApSAcK: C00023226, C00023227 |
| C15H18O3 | 246.12559 | -0.553 | Leptene B | KNApSAcK: C00051243 |
| C15H18O3 | 246.12559 | -0.553 | 7alpha-Hydroxydehydrocostus lactone | KEGG: C09476 KNApSAcK: C00003300 |
| C15H18O3 | 246.12559 | -0.553 | Xanthatin | HMDB: HMDB0036473 KEGG: C09601 KNApSAcK: C00003394 |
| C15H18O3 | 246.12559 | -0.553 | 1,8-Epoxyosmitopisn | KNApSAcK: C00020604 |
| C15H18O3 | 246.12559 | -0.553 | Glandulone A | HMDB: HMDB0038547 |
| C15H18O3 | 246.12559 | -0.553 | 4alpha-Hydroxy-1alpha,5alphaH-guaia-2,10(14),11(13)-trien-12,6alpha-olide | KNApSAcK: C00020785, C00022660 |
| C15H18O3 | 246.12559 | -0.553 | 8-Hydroxylindestenolide | KNApSAcK: C00029605 |
| C15H18O3 | 246.12559 | -0.553 | Parishin B | KNApSAcK: C00020428 |
| C15H18O3 | 246.12559 | -0.553 | Isocannabispiran | KNApSAcK: C00015791 |
| C15H18O3 | 246.12559 | -0.553 | Irofulven | HMDB: HMDB0253585 |
| C15H18O3 | 246.12559 | -0.553 | Cacalon | HMDB: HMDB0249526 KNApSAcK: C00017503, C00017504 |
| C15H18O3 | 246.12559 | -0.553 | Furoscrobiculin A | KNApSAcK: C00021536 |
| C15H18O3 | 246.12559 | -0.553 | [3aS-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione | KNApSAcK: C00012941 |
| C15H18O3 | 246.12559 | -0.553 | Arglabin | HMDB: HMDB0248591 KNApSAcK: C00020605 |
| C15H18O3 | 246.12559 | -0.553 | Pinnatifidin (Helenium) | KNApSAcK: C00012912 |
| C15H18O3 | 246.12559 | -0.553 | Enokipodin B | KNApSAcK: C00045888 |
| C15H18O3 | 246.12559 | -0.553 | Chloranthalactone D | KNApSAcK: C00013580 |
| C15H18O3 | 246.12559 | -0.553 | 7-Hydroxy-10-oxodehydrodihydrobotrydial | KNApSAcK: C00021655 |
| C15H18O3 | 246.12559 | -0.553 | 2-Hydroxyeudesm-1,4,6-triene-3,8-dione | KNApSAcK: C00022792 |
| C15H18O3 | 246.12559 | -0.553 | Manicol | KNApSAcK: C00017517 |
| C15H18O3 | 246.12559 | -0.553 | [3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4a,5,7,8,9a-Hexahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2,6(3H,4H)-dione | KNApSAcK: C00017333 |
| C15H18O3 | 246.12559 | -0.553 | Isofischeric acid | KNApSAcK: C00012038 |
| C15H18O3 | 246.12559 | -0.553 | Lacinilene C | HMDB: HMDB0036455 KNApSAcK: C00020116 |
| C15H18O3 | 246.12559 | -0.553 | Inunal | KNApSAcK: C00012927 |
| C15H18O3 | 246.12559 | -0.553 | Lumisantonin | KNApSAcK: C00021046 |
| C15H18O3 | 246.12559 | -0.553 | Furanoeremophilan-14beta,6alpha-olide | KNApSAcK: C00017006, C00017373 |
| C15H18O3 | 246.12559 | -0.553 | 11,14-Cyclo-14-hydroxy-1,3,5,7-bisabolatetraen-15-oic acid | KNApSAcK: C00055320 |
| C15H18O3 | 246.12559 | -0.553 | Ligustrin | KNApSAcK: C00020792, C00020796 |
| C15H18O3 | 246.12559 | -0.553 | 4alpha,5alpha-Epoxyinuviscolide | KNApSAcK: C00020921 |
| C15H18O3 | 246.12559 | -0.553 | Anhydroverlotorin | KNApSAcK: C00012176 |
| C15H18O3 | 246.12559 | -0.553 | Madolin I | KNApSAcK: C00033144 |
| C15H18O3 | 246.12559 | -0.553 | Preeupatundin | KNApSAcK: C00020784 |
| C15H18O3 | 246.12559 | -0.553 | E-7,12,13H-5-Dehydro-12-oxolasiosperman | KNApSAcK: C00011483 |
| C15H18O3 | 246.12559 | -0.553 | Chlorantene A | KNApSAcK: C00038745 |
| C15H18O3 | 246.12559 | -0.553 | [3aS-(3aalpha,5abeta,9balpha)]-3a,5a,6,7,8,9b-Hexahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,5(3H,4H)-dione | KNApSAcK: C00013049 |
| C15H18O3 | 246.12559 | -0.553 | Cannabispirone | KNApSAcK: C00015752 |
| C15H18O3 | 246.12559 | -0.553 | Dessarracinylbahia III | KNApSAcK: C00020787 |
| C15H18O3 | 246.12559 | -0.553 | Ambrosin | KEGG: C09292 KNApSAcK: C00003210 |
| C15H18O3 | 246.12559 | -0.553 | Ratibinolide | KNApSAcK: C00016960 |
| C15H18O3 | 246.12559 | -0.553 | Frutescin | KNApSAcK: C00012393 |
| C15H18O3 | 246.12559 | -0.553 | Athanasin | HMDB: HMDB0040903 KNApSAcK: C00011438 |
| C15H18O3 | 246.12559 | -0.553 | 2-Oxoalantolactone | HMDB: HMDB0030911 KNApSAcK: C00012896 |
| C15H18O3 | 246.12559 | -0.553 | 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid | HMDB: HMDB0037558 |
| C15H18O3 | 246.12559 | -0.553 | [3R-(3alpha,3aalpha,7abeta,8alpha,9aalpha)]-3,3a,7a,8,9,9a-Hexahydro-3,5,8-trimethyl-azuleno[6,5-b]furan-2,7-dione | KNApSAcK: C00020948 |
| C15H18O3 | 246.12559 | -0.553 | [2alpha(E),3alpha(E)]-3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal | KNApSAcK: C00012414, C00012415 |
| C15H18O3 | 246.12559 | -0.553 | [4S-(4alpha,4aalpha,5alpha)]-4a,5,6,7-Tetrahydro-4-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-9(4H)-one | KNApSAcK: C00017422 |
| C15H18O3 | 246.12559 | -0.553 | Antrocamphin A | KNApSAcK: C00038467 |
| C15H18O3 | 246.12559 | -0.553 | Merrekentrone D | KNApSAcK: C00046132 |
| C15H18O3 | 246.12559 | -0.553 | Dihydroepiisolinderalactone | KNApSAcK: C00012042, C00012043 |
| C15H18O3 | 246.12559 | -0.553 | 5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran | HMDB: HMDB0031916 |
| C15H18O3 | 246.12559 | -0.553 | Neolitacumone C | KNApSAcK: C00044956 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 493.25735 |
| Splash: splash10-004i-0290000000-1c24232a4c4435f076bb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.06 | 2545 | 264 | 1000 |
| 246.88 | 526 | 246 | 206 |
| 182.98 | 380 | 310 | 149 |
| 211.02 | 374 | 282 | 146 |
| 475.16 | 333 | 18 | 130 |
| 181.11 | 232 | 312 | 91 |
| 168.09 | 161 | 325 | 63 |
| 157.04 | 146 | 336 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 2OMe) | Flavone | Isopyrenin |
| 0.048 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Amorisin |
| 0.048 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone E |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Geranyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Dihydrochalcone | 2',4',6',3-Tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl) | Flavanone | Nymphaeol C |
| 0.000 | [Flavanone]-A(2OH, 1Farnesyl)-B(2OH) | Flavanone | 6-Farnesyl-3',4',5,7-tetrahydroxyflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH) | Flavanone | Kushenol B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(2OH) | Flavanone | Macrourone C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1Geranyl) | Dihydroflavonol | Sanggenol C |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl) | Isoflavanone | Sophoraisoflavanone D |
| Level: 3, プリカーサーm/z: 229.06494 |
| Splash: splash10-001i-0930000000-1dcbb5d9c618c43fe540 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 183.02 | 1028 | 46 | 1000 |
| 211.13 | 586 | 18 | 569 |
| 181.10 | 269 | 48 | 261 |
| 157.07 | 235 | 72 | 228 |
| 193.06 | 169 | 36 | 163 |
| 143.06 | 154 | 86 | 149 |
| 201.16 | 109 | 28 | 105 |
| 185.03 | 82 | 44 | 79 |
FlavonoidSearch結果
ヒットなし