ピーク情報
|
（ふき類） ふきのとう 花序 生
pos
|
| Peak #7450 MN MID: SE114_S062581_M90 |
| m/z: 533.31148, RT: 52.27, 強度: 36436, ログ強度: 1.08, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (164 names) Isoiresin;(6beta,8betaOH)-6,8-Dihydroxy-7(11)-eremophilen-12,8-olide;Arabsin;[3S-(3R*,3aR*,5R*,6E,10Z,11aS*)]-3a,4,5,8,9,11a-Hexahydro-5-hydroxy-10-(hydroxymethyl)-3,6-dimethylcyclodeca[b]furan-2(3H)-... |
| DBごとのヒット数: ALL 133 KG 5 KN 120 HM 8 |
| 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 |
|---|---|---|---|---|
| C15H22O4 | 266.15181 | 1.095 | Isoiresin | KNApSAcK: C00020265 |
| C15H22O4 | 266.15181 | 1.095 | 6beta,8beta-Dihydroxyeremophilenolide | HMDB: HMDB0035644 KNApSAcK: C00017306 |
| C15H22O4 | 266.15181 | 1.095 | Arabsin | HMDB: HMDB0036151 |
| C15H22O4 | 266.15181 | 1.095 | [3S-(3R*,3aR*,5R*,6E,10Z,11aS*)]-3a,4,5,8,9,11a-Hexahydro-5-hydroxy-10-(hydroxymethyl)-3,6-dimethylcyclodeca[b]furan-2(3H)-one | KNApSAcK: C00011824 |
| C15H22O4 | 266.15181 | 1.095 | Rudmollin | KNApSAcK: C00021093 |
| C15H22O4 | 266.15181 | 1.095 | 1-Epierivanin | KNApSAcK: C00012964, C00012965 |
| C15H22O4 | 266.15181 | 1.095 | Furantriol | KNApSAcK: C00021534 |
| C15H22O4 | 266.15181 | 1.095 | 7alpha-Hydroxytrichodermol | HMDB: HMDB0038476 KNApSAcK: C00012657 |
| C15H22O4 | 266.15181 | 1.095 | Sardonialactone A | KNApSAcK: C00021554 |
| C15H22O4 | 266.15181 | 1.095 | Ixerin K | KNApSAcK: C00011828, C00011829 |
| C15H22O4 | 266.15181 | 1.095 | Verrucarol | KNApSAcK: C00036239 |
| C15H22O4 | 266.15181 | 1.095 | [3S-(3alpha,3aalpha,4alpha,5abeta,6beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-4,6-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one | KNApSAcK: C00012980 |
| C15H22O4 | 266.15181 | 1.095 | 1beta-Hydroxyarbusculin A | HMDB: HMDB0037059 KNApSAcK: C00013003 |
| C15H22O4 | 266.15181 | 1.095 | [3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one | KNApSAcK: C00012994 |
| C15H22O4 | 266.15181 | 1.095 | Cheimonophyllon A | KNApSAcK: C00016694 |
| C15H22O4 | 266.15181 | 1.095 | Mairetolide F | KNApSAcK: C00041647 |
| C15H22O4 | 266.15181 | 1.095 | Deoxyartemsinin | HMDB: HMDB0060569 |
| C15H22O4 | 266.15181 | 1.095 | Deacetylinulicin | KNApSAcK: C00021191 |
| C15H22O4 | 266.15181 | 1.095 | Lejeuneapinguisanolide | KNApSAcK: C00037414 |
| C15H22O4 | 266.15181 | 1.095 | Sambucinol | KNApSAcK: C00012622 |
| C15H22O4 | 266.15181 | 1.095 | Dicorin | KNApSAcK: C00020339 |
| C15H22O4 | 266.15181 | 1.095 | 10-Hydroxymyoporone | HMDB: HMDB0035210 KNApSAcK: C00011488 |
| C15H22O4 | 266.15181 | 1.095 | 2alpha-Hydroxydihydroparthenolide | KNApSAcK: C00012111, C00052621 |
| C15H22O4 | 266.15181 | 1.095 | Zinniol | KEGG: C10840 KNApSAcK: C00002684 |
| C15H22O4 | 266.15181 | 1.095 | Nardosinanol E | KNApSAcK: C00039826 |
| C15H22O4 | 266.15181 | 1.095 | Lactarorufin D | KNApSAcK: C00021547, C00021548 |
| C15H22O4 | 266.15181 | 1.095 | Grangolide | KNApSAcK: C00013019 |
| C15H22O4 | 266.15181 | 1.095 | 1beta,10alpha-Dihydroxy-11(13)-eremophilen-12,8beta-olide | KNApSAcK: C00017305 |
| C15H22O4 | 266.15181 | 1.095 | Iresin | KNApSAcK: C00020264 |
| C15H22O4 | 266.15181 | 1.095 | 11beta-Dihydroflabellin | KNApSAcK: C00049849 |
| C15H22O4 | 266.15181 | 1.095 | Shonachalin C | HMDB: HMDB0035647 KNApSAcK: C00011817 |
| C15H22O4 | 266.15181 | 1.095 | (11R)-11,13-Dihydrotatridin A | KNApSAcK: C00021683 |
| C15H22O4 | 266.15181 | 1.095 | Pulchellin A | KNApSAcK: C00021065, C00021067, C00021068, C00021070 |
| C15H22O4 | 266.15181 | 1.095 | Euryopsol | KNApSAcK: C00017362 |
| C15H22O4 | 266.15181 | 1.095 | Alliacolide | KNApSAcK: C00020204 |
| C15H22O4 | 266.15181 | 1.095 | Magnograndiolide | KNApSAcK: C00020474 |
| C15H22O4 | 266.15181 | 1.095 | Ipomeamaronolide | HMDB: HMDB0040905 |
| C15H22O4 | 266.15181 | 1.095 | [3aS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Decahydro-6-hydroxy-9-(hydroxymethyl)-5a-methyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one | KNApSAcK: C00013012 |
| C15H22O4 | 266.15181 | 1.095 | [3R-(3R*,3aS*,4R*,5E,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-4-hydroxy-10-(hydroxymethyl)-3,6-dimethylcyclodeca[b]furan-2(3H)-one | KNApSAcK: C00012336 |
| C15H22O4 | 266.15181 | 1.095 | [3S-(3alpha,3aalpha,5abeta,6beta,8alpha,9bbeta)]- 3a,4,5,5a,6,7,8,9b-Octahydro-6,8-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one | HMDB: HMDB0036152 KNApSAcK: C00013000, C00013001 |
| C15H22O4 | 266.15181 | 1.095 | Lactarorufin A | KNApSAcK: C00021545 |
| C15H22O4 | 266.15181 | 1.095 | [4]-Gingerol | HMDB: HMDB0302125 KNApSAcK: C00035444 |
| C15H22O4 | 266.15181 | 1.095 | Agglomerin A | KNApSAcK: C00017545 |
| C15H22O4 | 266.15181 | 1.095 | Canusesnol F | KNApSAcK: C00043345 |
| C15H22O4 | 266.15181 | 1.095 | Shonachalin B | KNApSAcK: C00013083 |
| C15H22O4 | 266.15181 | 1.095 | Artapshin | KNApSAcK: C00013006 |
| C15H22O4 | 266.15181 | 1.095 | Dihydroilludin S | KNApSAcK: C00021449 |
| C15H22O4 | 266.15181 | 1.095 | Themoidin | KNApSAcK: C00021200, C00021202 |
| C15H22O4 | 266.15181 | 1.095 | Franserin | KNApSAcK: C00021122 |
| C15H22O4 | 266.15181 | 1.095 | Helibisabonol B | KNApSAcK: C00037250 |
| C15H22O4 | 266.15181 | 1.095 | Isolactarorufin | KNApSAcK: C00021521 |
| C15H22O4 | 266.15181 | 1.095 | [3aR-(3aalpha,4aalpha,5alpha,8alpha,8abeta,9aalpha)]-Decahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one | KNApSAcK: C00012875 |
| C15H22O4 | 266.15181 | 1.095 | Connatusin A | KNApSAcK: C00042409 |
| C15H22O4 | 266.15181 | 1.095 | Cumanin | KNApSAcK: C00021031, C00021032, C00021074 |
| C15H22O4 | 266.15181 | 1.095 | Absindiol | HMDB: HMDB0033229 KNApSAcK: C00055191 |
| C15H22O4 | 266.15181 | 1.095 | Clitocybulol C | KNApSAcK: C00042401 |
| C15H22O4 | 266.15181 | 1.095 | (-)-Athanagrandione | HMDB: HMDB0033660 KNApSAcK: C00011437 |
| C15H22O4 | 266.15181 | 1.095 | 3alpha-Hydroxy-1beta,10beta-epoxy-11betaH-eremophilan-12,8beta-olide | KNApSAcK: C00021105 |
| C15H22O4 | 266.15181 | 1.095 | (-)-Arbusculin D | KNApSAcK: C00012995 |
| C15H22O4 | 266.15181 | 1.095 | Blennin D | HMDB: HMDB0031902 KNApSAcK: C00021527 LipidMAPS: LMPR0103620003 |
| C15H22O4 | 266.15181 | 1.095 | 1alpha,15-Dihydroxymarasmene | HMDB: HMDB0036038 KNApSAcK: C00020312 |
| C15H22O4 | 266.15181 | 1.095 | [2R-(2alpha,3alpha,4alpha,4aalpha,8abeta)]-Decahydro-3,4-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid | KNApSAcK: C00012729 |
| C15H22O4 | 266.15181 | 1.095 | Eminensin B | KNApSAcK: C00042487 |
| C15H22O4 | 266.15181 | 1.095 | Ivambrin | KNApSAcK: C00021043 |
| C15H22O4 | 266.15181 | 1.095 | Xanthoxic acid | KEGG: C13454 |
| C15H22O4 | 266.15181 | 1.095 | Carolenalin | KNApSAcK: C00020892 |
| C15H22O4 | 266.15181 | 1.095 | Kanshone D | KNApSAcK: C00017480 |
| C15H22O4 | 266.15181 | 1.095 | [3S-(3alpha,3aalpha,5abeta,6beta,7alpha,9aalpha,9bbeta)]-Decahydro-6,7-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one | KNApSAcK: C00012999 |
| C15H22O4 | 266.15181 | 1.095 | Shonachalin A | KNApSAcK: C00011773 |
| C15H22O4 | 266.15181 | 1.095 | [4]-Isogingerol | HMDB: HMDB0302126 KNApSAcK: C00035445 |
| C15H22O4 | 266.15181 | 1.095 | Kanshone B | KNApSAcK: C00017479 |
| C15H22O4 | 266.15181 | 1.095 | Mukaadial | KEGG: C09702 KNApSAcK: C00003165 |
| C15H22O4 | 266.15181 | 1.095 | Ivaxillin | KNApSAcK: C00012326, C00012327 |
| C15H22O4 | 266.15181 | 1.095 | 1alpha,3beta-Dihydroxy-4Z,9Z-germacradien-12,6alpha-olide | KNApSAcK: C00011753 |
| C15H22O4 | 266.15181 | 1.095 | [3R-(3alpha,3abeta,6alpha,6abeta,9abeta,9balpha)]-Decahydro-6-hydroxy-6-(hydroxymethyl)-3-methyl-9-methylene-azuleno[4,5-b]furan-2(3H)-one | KNApSAcK: C00020549, C00020550 |
| C15H22O4 | 266.15181 | 1.095 | 8beta-Hydroxysambucoin | KNApSAcK: C00012624, C00012625 |
| C15H22O4 | 266.15181 | 1.095 | Arlatin | HMDB: HMDB0035740 KNApSAcK: C00020536 |
| C15H22O4 | 266.15181 | 1.095 | Pernetic acid D | KNApSAcK: C00020190, C00020195 |
| C15H22O4 | 266.15181 | 1.095 | Sydnic acid | KNApSAcK: C00011665 |
| C15H22O4 | 266.15181 | 1.095 | Rugosal A | KEGG: C09717 KNApSAcK: C00003180 |
| C15H22O4 | 266.15181 | 1.095 | 3beta,9alpha-Dihydroxycinnamolide | KNApSAcK: C00020263 |
| C15H22O4 | 266.15181 | 1.095 | (+)-Herbolide F | KNApSAcK: C00011758 |
| C15H22O4 | 266.15181 | 1.095 | Versicolactone C | KNApSAcK: C00033471 |
| C15H22O4 | 266.15181 | 1.095 | 8-Methoxy-9-O-isobutyrylthymol | KNApSAcK: C00050764 |
| C15H22O4 | 266.15181 | 1.095 | Heliannuol L | KNApSAcK: C00037247 |
| C15H22O4 | 266.15181 | 1.095 | Ipomeamaronol | HMDB: HMDB0038148 KNApSAcK: C00011474 LipidMAPS: LMFA05000668 |
| C15H22O4 | 266.15181 | 1.095 | Gloeophyllol D | KNApSAcK: C00037190 |
| C15H22O4 | 266.15181 | 1.095 | Humulinic acid A | HMDB: HMDB0030104 |
| C15H22O4 | 266.15181 | 1.095 | Stereumin B | KNApSAcK: C00034289, C00034699 |
| C15H22O4 | 266.15181 | 1.095 | Curvularol | KNApSAcK: C00015733 |
| C15H22O4 | 266.15181 | 1.095 | 11beta,13-Dihydro-epi-ligustrin | KNApSAcK: C00022655 |
| C15H22O4 | 266.15181 | 1.095 | Ambrosiol | KNApSAcK: C00021073 |
| C15H22O4 | 266.15181 | 1.095 | Leptospermone | HMDB: HMDB0041425 KNApSAcK: C00035664, C00035676 |
| C15H22O4 | 266.15181 | 1.095 | 6alpha,8beta-Dihydroxygermacra-1(10),4,11(13)-trien-12-oate | KEGG: C22050 |
| C15H22O4 | 266.15181 | 1.095 | Hebelophyllene C | KNApSAcK: C00039348 |
| C15H22O4 | 266.15181 | 1.095 | Connatusin B | KNApSAcK: C00042410 |
| C15H22O4 | 266.15181 | 1.095 | Aspterric acid | KNApSAcK: C00021378 |
| C15H22O4 | 266.15181 | 1.095 | Stereumin A | KNApSAcK: C00034288 |
| C15H22O4 | 266.15181 | 1.095 | (1alpha,4alpha,5beta,6alpha,11betaH)-1,4-Epoxy-5-hydroxy-10(14)-germacren-12,6-olide | HMDB: HMDB0037005 |
| C15H22O4 | 266.15181 | 1.095 | 4'-Dihydroabscisic acid | HMDB: HMDB0039516 KNApSAcK: C00054334 |
| C15H22O4 | 266.15181 | 1.095 | (-)-Pereniporin B | KNApSAcK: C00017769 |
| C15H22O4 | 266.15181 | 1.095 | Sporol | KNApSAcK: C00012649 |
| C15H22O4 | 266.15181 | 1.095 | Massarinolin C | KNApSAcK: C00049226 |
| C15H22O4 | 266.15181 | 1.095 | Argentiolide A | KNApSAcK: C00012334 |
| C15H22O4 | 266.15181 | 1.095 | Desacylligulatin C | KNApSAcK: C00021144 |
| C15H22O4 | 266.15181 | 1.095 | Hymenoratin G | KNApSAcK: C00020885 |
| C15H22O4 | 266.15181 | 1.095 | Dihydroflorilenalin | KNApSAcK: C00020886 |
| C15H22O4 | 266.15181 | 1.095 | Artapshinin | KNApSAcK: C00011767, C00011768 |
| C15H22O4 | 266.15181 | 1.095 | [2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid | KNApSAcK: C00012730 |
| C15H22O4 | 266.15181 | 1.095 | 9alpha-Hydroxydihydroparthenolide | KNApSAcK: C00012107 |
| C15H22O4 | 266.15181 | 1.095 | Cyperanic acid | KNApSAcK: C00021909 |
| C15H22O4 | 266.15181 | 1.095 | Lingshuiolide B | KNApSAcK: C00039624, C00039625 |
| C15H22O4 | 266.15181 | 1.095 | 3alpha,15-Dihydroxymarasmene | HMDB: HMDB0036039 KNApSAcK: C00020313 |
| C15H22O4 | 266.15181 | 1.095 | Adhumulinic acid | HMDB: HMDB0030137 |
| C15H22O4 | 266.15181 | 1.095 | Massarinolin B | KNApSAcK: C00049225 |
| C15H22O4 | 266.15181 | 1.095 | Deoxyqinghaosu | HMDB: HMDB0251012 |
| C15H22O4 | 266.15181 | 1.095 | 3beta-Hydroxy-11alpha,13-dihydroparthenolide | KNApSAcK: C00012112 |
| C15H22O4 | 266.15181 | 1.095 | [3S-(3alpha,3abeta,4abeta,8aalpha,9abeta)]-Decahydro-3a-hydroperoxy-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one | KNApSAcK: C00012909 |
| C15H22O4 | 266.15181 | 1.095 | Fuegin | KNApSAcK: C00020298, C00020759, C00020761 |
| C15H22O4 | 266.15181 | 1.095 | (+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A | KNApSAcK: C00044396 |
| C15H22O4 | 266.15181 | 1.095 | Gallicadiol | KNApSAcK: C00013005 |
| C15H22O4 | 266.15181 | 1.095 | 9beta-Hydroxy-4beta,11beta,13,15-tetrahydrozaluzanin C | KNApSAcK: C00020542, C00020545 |
| C15H22O4 | 266.15181 | 1.095 | Castellanin | KNApSAcK: C00011978 |
| C15H22O4 | 266.15181 | 1.095 | Sporol | HMDB: HMDB0037070 |
| C15H22O4 | 266.15181 | 1.095 | Arsubin | HMDB: HMDB0034696 KNApSAcK: C00012968, C00012969, C00012970, C00012971 |
| C15H22O4 | 266.15181 | 1.095 | (+)-Melitensin | KNApSAcK: C00011974 |
| C15H22O4 | 266.15181 | 1.095 | Arabsin | KNApSAcK: C00013065, C00013066, C00013068 |
| C15H22O4 | 266.15181 | 1.095 | Fascicularone B | KNApSAcK: C00035621 |
| C15H22O4 | 266.15181 | 1.095 | 4alpha-Hydroxydihydroilludin M | KNApSAcK: C00021450 |
| C15H22O4 | 266.15181 | 1.095 | Ivalbin | KNApSAcK: C00021042 |
| C15H22O4 | 266.15181 | 1.095 | 5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid | KNApSAcK: C00011555 |
| C15H22O4 | 266.15181 | 1.095 | Isolipidiol | KNApSAcK: C00021007, C00033762, C00036664 |
| C15H22O4 | 266.15181 | 1.095 | 10alpha,14-Epoxy-3beta-hydroxy-12,6alpha-guaianolide | KNApSAcK: C00020615 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 533.31073 |
| Splash: splash10-014i-0090010000-dce97323eedbee9671df |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 266.98 | 4473 | 266 | 1000 |
| 249.04 | 1007 | 284 | 225 |
| 515.22 | 810 | 18 | 181 |
| 230.99 | 574 | 302 | 128 |
| 187.10 | 325 | 346 | 72 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(E)-4-hydroxyprenyl))-B(2OH) | 2'-Hydroxychalcone | Isogemichalcone C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(2OH) | 2'-Hydroxychalcone | Gemichalcone C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyrottlerin |
| 0.000 | [Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2'',6''-O-diacetate |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(2OMe) | Flavone | 6''-O-Acetylisoorientin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 2'',6''-O-diacetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(2OH) | Flavone | Orientin 2''-O-(2'''-methylbutyrate) |
| Level: 3, プリカーサーm/z: 249.04413 |
| Splash: splash10-00di-0690000000-c133c30f7e6aefedb8db |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 221.17 | 279 | 28 | 1000 |
| 187.26 | 106 | 62 | 379 |
| 117.02 | 58 | 132 | 209 |
| 171.60 | 31 | 77 | 111 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 266.97748 |
| Splash: splash10-0fb9-0190000000-1f23f9c42189bb13680a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.67 | 54 | 37 | 1000 |
| 202.61 | 43 | 64 | 793 |
| 248.88 | 15 | 18 | 277 |
| 186.87 | 14 | 80 | 257 |
| 231.14 | 13 | 36 | 234 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OMe)-B(none) | 2-substituted Isoflavone | 7-Methoxy-2-methylisoflavone |