ピーク情報
|
（かんきつ類） レモン 全果 生
pos
|
| Peak #7804 MN MID: SE123_S071551_M90 |
| m/z: 219.17427, RT: 87.97, 強度: 6685, ログ強度: 0.29, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (202 names) Alloeremophilone;3-Desoxyneopetasol;Eremophila-9,11-dien-8-one;Neopetasan;Vulgarone A;Swartzianin B;(-)-Swartzianin B;1,2,8,8a-Tetrahydro-4,6-dimethyl-1-(1-methylethyl)-2-naphthalenol;(E,E)-2,9,9-Trim... |
| DBごとのヒット数: ALL 153 KG 18 KN 124 HM 4 LM 7 |
| 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 |
|---|---|---|---|---|
| C15H22O | 218.16707 | -0.349 | Alloeremophilone | KNApSAcK: C00016991 |
| C15H22O | 218.16707 | -0.349 | Vulgarone A | HMDB: HMDB0036733 KNApSAcK: C00022019 |
| C15H22O | 218.16707 | -0.349 | Swartzianin B | KNApSAcK: C00043946 |
| C15H22O | 218.16707 | -0.349 | 1,2,8,8a-Tetrahydro-4,6-dimethyl-1-(1-methylethyl)-2-naphthalenol | KNApSAcK: C00020160 |
| C15H22O | 218.16707 | -0.349 | (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one | KNApSAcK: C00012465 |
| C15H22O | 218.16707 | -0.349 | Solanascone | KNApSAcK: C00022025 |
| C15H22O | 218.16707 | -0.349 | 1(10)-Aristolen-12-al | KNApSAcK: C00017469 |
| C15H22O | 218.16707 | -0.349 | (+)-Curcuphenol | KNApSAcK: C00011620, C00011621 |
| C15H22O | 218.16707 | -0.349 | Grimaldone | KNApSAcK: C00012522 |
| C15H22O | 218.16707 | -0.349 | Muurola-4,10(14)-dien-3-one | KNApSAcK: C00045355 |
| C15H22O | 218.16707 | -0.349 | Gossonorol | KNApSAcK: C00042565 |
| C15H22O | 218.16707 | -0.349 | Pentalen-13-al | KEGG: C19939 LipidMAPS: LMPR0103740001 |
| C15H22O | 218.16707 | -0.349 | Africanone | KNApSAcK: C00021305 |
| C15H22O | 218.16707 | -0.349 | Dendrolasin | HMDB: HMDB0036071 KEGG: C16779 KNApSAcK: C00011445 |
| C15H22O | 218.16707 | -0.349 | alpha-Turmerone | HMDB: HMDB0037000 KNApSAcK: C00011639 |
| C15H22O | 218.16707 | -0.349 | LipidMAPS: LMPR0103210001 |
|
| C15H22O | 218.16707 | -0.349 | Chiloscyphone | KNApSAcK: C00017466, C00038051 |
| C15H22O | 218.16707 | -0.349 | Gymnomitr-3(15)-en-4-one | KNApSAcK: C00039315 |
| C15H22O | 218.16707 | -0.349 | (+)-Isobicyclogermacrenal | KNApSAcK: C00012431, C00012432, C00012433 |
| C15H22O | 218.16707 | -0.349 | LipidMAPS: LMPR0103690004 |
|
| C15H22O | 218.16707 | -0.349 | Gansongone | KNApSAcK: C00017473 |
| C15H22O | 218.16707 | -0.349 | 1,9-Cadinadien-3-one | KNApSAcK: C00020061 |
| C15H22O | 218.16707 | -0.349 | Deoxypinguisone | KNApSAcK: C00021342 |
| C15H22O | 218.16707 | -0.349 | Microcionin 3 | KNApSAcK: C00011558 |
| C15H22O | 218.16707 | -0.349 | Pallescensin 1 | KNApSAcK: C00011568 |
| C15H22O | 218.16707 | -0.349 | Gymnomitrone | KNApSAcK: C00039317 |
| C15H22O | 218.16707 | -0.349 | (-)-alpha-Alasken-8-one | KNApSAcK: C00038049 |
| C15H22O | 218.16707 | -0.349 | Artemisinic aldehyde | KEGG: C20308 KNApSAcK: C00034419 |
| C15H22O | 218.16707 | -0.349 | [S-(E)]-4-Methyl-10-methylene-7-(1-methylethenyl)-4-cyclodecen-1-one | KNApSAcK: C00011730 |
| C15H22O | 218.16707 | -0.349 | Marsupellone | KNApSAcK: C00021323 |
| C15H22O | 218.16707 | -0.349 | Z-gamma-Atlantone | HMDB: HMDB0302608 KNApSAcK: C00050265 |
| C15H22O | 218.16707 | -0.349 | Valerenal | HMDB: HMDB0035786 KNApSAcK: C00021295, C00021297 LipidMAPS: LMPR0103040001 |
| C15H22O | 218.16707 | -0.349 | 12-Sesquisabinenal | KNApSAcK: C00011969 |
| C15H22O | 218.16707 | -0.349 | (+)-alpha-Atlantone | HMDB: HMDB0036201 KNApSAcK: C00011642, C00011644 |
| C15H22O | 218.16707 | -0.349 | Cyperenal | KNApSAcK: C00021282 |
| C15H22O | 218.16707 | -0.349 | alpha-Bergamotenal | KNApSAcK: C00054947 |
| C15H22O | 218.16707 | -0.349 | Calamusenone | HMDB: HMDB0038200 KNApSAcK: C00020396 |
| C15H22O | 218.16707 | -0.349 | N-Octyl phenyl ketone | HMDB: HMDB0094674 |
| C15H22O | 218.16707 | -0.349 | beta-Elemenone | HMDB: HMDB0039637 KNApSAcK: C00052874 LipidMAPS: LMPR0103080001 |
| C15H22O | 218.16707 | -0.349 | Isohumbertiol | HMDB: HMDB0040686 |
| C15H22O | 218.16707 | -0.349 | Pallescensin A | KNApSAcK: C00021940 |
| C15H22O | 218.16707 | -0.349 | (-)-beta-Elemenal | HMDB: HMDB0302820 KNApSAcK: C00012018 |
| C15H22O | 218.16707 | -0.349 | Germacra-1(10),4,11(13)-trien-12-al | KEGG: C19677 |
| C15H22O | 218.16707 | -0.349 | (-)-Periplanone D | KNApSAcK: C00011716 |
| C15H22O | 218.16707 | -0.349 | Silphiperfol-6-en-5-one | KNApSAcK: C00021822 |
| C15H22O | 218.16707 | -0.349 | Patchoulenone | HMDB: HMDB0035747 KNApSAcK: C00021287 |
| C15H22O | 218.16707 | -0.349 | 3(12)-Gymnomitren-15-al | KNApSAcK: C00021891 |
| C15H22O | 218.16707 | -0.349 | (+)-Costal | HMDB: HMDB0250482 KNApSAcK: C00012750 |
| C15H22O | 218.16707 | -0.349 | (1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol | KNApSAcK: C00012576 |
| C15H22O | 218.16707 | -0.349 | (-)-beta-Herbertenol | KNApSAcK: C00012542 |
| C15H22O | 218.16707 | -0.349 | Chamigrenal | KNApSAcK: C00021610 |
| C15H22O | 218.16707 | -0.349 | LipidMAPS: LMPR0103880002 |
|
| C15H22O | 218.16707 | -0.349 | 3-Methoxy-14-norcalamenene | KNApSAcK: C00020200 |
| C15H22O | 218.16707 | -0.349 | 4(15),5E,10(14)-Germacratrien-1-one | KNApSAcK: C00011726 |
| C15H22O | 218.16707 | -0.349 | alpha-Sinensal | HMDB: HMDB0038215 KEGG: C09729 KNApSAcK: C00003188 |
| C15H22O | 218.16707 | -0.349 | ent-Cyclocolorenone | KNApSAcK: C00021240, C00030184 |
| C15H22O | 218.16707 | -0.349 | Occidol | KNApSAcK: C00013242 |
| C15H22O | 218.16707 | -0.349 | [S-[R*,S*-(E)]]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-heptenal | KNApSAcK: C00011628 |
| C15H22O | 218.16707 | -0.349 | Mustakone | HMDB: HMDB0036797 KNApSAcK: C00021870 |
| C15H22O | 218.16707 | -0.349 | 4(14),7(11)-Eudesmadien-8-one | KNApSAcK: C00012762 |
| C15H22O | 218.16707 | -0.349 | Ishwarone | KNApSAcK: C00021873 |
| C15H22O | 218.16707 | -0.349 | (-)-gamma-Herbertenol | KNApSAcK: C00035990 |
| C15H22O | 218.16707 | -0.349 | alpha-Santalone | HMDB: HMDB0036813 KNApSAcK: C00021853, C00021854 |
| C15H22O | 218.16707 | -0.349 | (-)-alpha-Herbertenol | KNApSAcK: C00012543 LipidMAPS: LMPR0103160009 |
| C15H22O | 218.16707 | -0.349 | (+)-Sclerosporal | KNApSAcK: C00020128, C00020129 |
| C15H22O | 218.16707 | -0.349 | Cyperotundone | KEGG: C17501 KNApSAcK: C00021284 |
| C15H22O | 218.16707 | -0.349 | Podocephalol | KNApSAcK: C00021314 |
| C15H22O | 218.16707 | -0.349 | (-)-7-Hydroxycalamenene | KNApSAcK: C00034980 |
| C15H22O | 218.16707 | -0.349 | 5-Hydroxycalamenene | KNApSAcK: C00020073 |
| C15H22O | 218.16707 | -0.349 | 1beta,10betaH-Guaia-4,11-dien-3-one | KNApSAcK: C00020398, C00022791 |
| C15H22O | 218.16707 | -0.349 | Z-nuciferol | KNApSAcK: C00011623, C00053914, C00055579 |
| C15H22O | 218.16707 | -0.349 | Nardosinanol A | KNApSAcK: C00039822 |
| C15H22O | 218.16707 | -0.349 | Aristolone | KNApSAcK: C00017474, C00029294 |
| C15H22O | 218.16707 | -0.349 | Solavetivone | HMDB: HMDB0035657 KEGG: C09737 KNApSAcK: C00003191 LipidMAPS: LMPR0103650001 |
| C15H22O | 218.16707 | -0.349 | Zizanal | KNApSAcK: C00021763, C00021764 |
| C15H22O | 218.16707 | -0.349 | (-)-Myliol | KNApSAcK: C00021248 |
| C15H22O | 218.16707 | -0.349 | [4aR-(4aalpha,6beta,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone | HMDB: HMDB0035082 KNApSAcK: C00012756, C00012757, C00012758 |
| C15H22O | 218.16707 | -0.349 | Oxidohimachalene | KNApSAcK: C00021306 |
| C15H22O | 218.16707 | -0.349 | alpha-Vetivone | KEGG: C09744 KNApSAcK: C00003198 |
| C15H22O | 218.16707 | -0.349 | Eremophilone | KNApSAcK: C00016989 |
| C15H22O | 218.16707 | -0.349 | [1R-(1R*,2E,6E,10S*,11S*)]-3,7,11-Trimethylbicyclo[8.1.0]undeca-2,6-diene-11-carboxaldehyde | KNApSAcK: C00012424 |
| C15H22O | 218.16707 | -0.349 | Isomicrocionin 3 | KNApSAcK: C00048739 |
| C15H22O | 218.16707 | -0.349 | 1,3,5-Bisabolatrien-10-one | HMDB: HMDB0036109 KNApSAcK: C00011627 |
| C15H22O | 218.16707 | -0.349 | LipidMAPS: LMPR0103660002 |
|
| C15H22O | 218.16707 | -0.349 | alpha-Cyperone | HMDB: HMDB0037061 KEGG: C17090 KNApSAcK: C00012759 |
| C15H22O | 218.16707 | -0.349 | Eremophila-1,11-dien-9-one | KNApSAcK: C00016990 |
| C15H22O | 218.16707 | -0.349 | (S)-(+)-Elvirol | KNApSAcK: C00011668 |
| C15H22O | 218.16707 | -0.349 | beta-Sinensal | HMDB: HMDB0035643 KEGG: C09730 KNApSAcK: C00003189 |
| C15H22O | 218.16707 | -0.349 | Germazone | KNApSAcK: C00021974 |
| C15H22O | 218.16707 | -0.349 | Caryophylla-2(12),6(13)-dien-5-one | KNApSAcK: C00055754 |
| C15H22O | 218.16707 | -0.349 | Laurencenone C | KNApSAcK: C00021611 LipidMAPS: LMPR0103670005 |
| C15H22O | 218.16707 | -0.349 | ar-Turmerol | HMDB: HMDB0038511 KNApSAcK: C00029831, C00035053 |
| C15H22O | 218.16707 | -0.349 | (R)-(-)-Xanthorrhizol | HMDB: HMDB0038195 KNApSAcK: C00011622 |
| C15H22O | 218.16707 | -0.349 | cis-Calamenen-10-ol | KNApSAcK: C00053021, C00053848 |
| C15H22O | 218.16707 | -0.349 | Buddledin C | KNApSAcK: C00012488, C00012489 |
| C15H22O | 218.16707 | -0.349 | (+)-Vitrenal | KNApSAcK: C00000213 |
| C15H22O | 218.16707 | -0.349 | (E)-beta-Santalal | HMDB: HMDB0036718 KNApSAcK: C00021857 |
| C15H22O | 218.16707 | -0.349 | (-)-Taylorione | KNApSAcK: C00021270 |
| C15H22O | 218.16707 | -0.349 | (-)-Cryptomerione | KNApSAcK: C00011647 |
| C15H22O | 218.16707 | -0.349 | 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-7-en-6-ol | KNApSAcK: C00022018 |
| C15H22O | 218.16707 | -0.349 | 6,8,10,12-pentadecatetraenal | LipidMAPS: LMFA06000087 |
| C15H22O | 218.16707 | -0.349 | Dihydropallescensin 2 | KNApSAcK: C00011567 |
| C15H22O | 218.16707 | -0.349 | Furoeremophilane | HMDB: HMDB0035835 KNApSAcK: C00017338 |
| C15H22O | 218.16707 | -0.349 | (4aR-cis)-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethylidene)-2(1H)-naphthalenone | HMDB: HMDB0035081 KNApSAcK: C00012755 |
| C15H22O | 218.16707 | -0.349 | 3-Oxoishwarane | KNApSAcK: C00021874 |
| C15H22O | 218.16707 | -0.349 | 2,6-Di-tert-butyl-4-methylene-2,5-cyclohexadienone | HMDB: HMDB0245711 |
| C15H22O | 218.16707 | -0.349 | ar-Dihydroturmerone | KNApSAcK: C00035050 |
| C15H22O | 218.16707 | -0.349 | (+)-gamma-Costal | KNApSAcK: C00012743 |
| C15H22O | 218.16707 | -0.349 | LipidMAPS: LMPR0103100002 |
|
| C15H22O | 218.16707 | -0.349 | Germacrone | HMDB: HMDB0252704 KEGG: C16966 KNApSAcK: C00011728 |
| C15H22O | 218.16707 | -0.349 | Squamulosone | KNApSAcK: C00021239, C00046150 |
| C15H22O | 218.16707 | -0.349 | Rotundone | HMDB: HMDB0036443 KNApSAcK: C00020397 LipidMAPS: LMPR0103410008 |
| C15H22O | 218.16707 | -0.349 | (-)-delta-Cuparenol | KNApSAcK: C00012511 |
| C15H22O | 218.16707 | -0.349 | LipidMAPS: LMPR0103190016 |
|
| C15H22O | 218.16707 | -0.349 | Curlone | HMDB: HMDB0037068 KNApSAcK: C00011640 |
| C15H22O | 218.16707 | -0.349 | Zerumbone | HMDB: HMDB0036667, HMDB0245523 KEGG: C20262 KNApSAcK: C00012467 |
| C15H22O | 218.16707 | -0.349 | Isofukinone | KNApSAcK: C00016988 |
| C15H22O | 218.16707 | -0.349 | alpha-Copaen-8-one | KNApSAcK: C00021869 |
| C15H22O | 218.16707 | -0.349 | Xenitorin B | KNApSAcK: C00046525 |
| C15H22O | 218.16707 | -0.349 | Libocedrin B | KNApSAcK: C00055967 |
| C15H22O | 218.16707 | -0.349 | (4S)-4-(5,5-Dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde | KEGG: C22013 |
| C15H22O | 218.16707 | -0.349 | Sesquirose furan | KNApSAcK: C00011499 |
| C15H22O | 218.16707 | -0.349 | Vulgarone B | HMDB: HMDB0038164 KNApSAcK: C00021325, C00055976 |
| C15H22O | 218.16707 | -0.349 | alpha-Cuparenol | KNApSAcK: C00012514, C00012515 |
| C15H22O | 218.16707 | -0.349 | Dictyopterone | KNApSAcK: C00012747 |
| C15H22O | 218.16707 | -0.349 | Carota-1,4-dienaldehyde | KNApSAcK: C00021379 |
| C15H22O | 218.16707 | -0.349 | Microcionin 4 | KNApSAcK: C00011582 |
| C15H22O | 218.16707 | -0.349 | gamma-Cuparenol | KNApSAcK: C00012509 |
| C15H22O | 218.16707 | -0.349 | [3aR-(1Z,3aalpha,7beta,7abeta)]-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2H-inden-2-one | KNApSAcK: C00020738, C00020739 |
| C15H22O | 218.16707 | -0.349 | Nootkatone | HMDB: HMDB0013687, HMDB0303909 KEGG: C17914 KNApSAcK: C00016987 |
| C15H22O | 218.16707 | -0.349 | Suberosenone | KNApSAcK: C00041900 |
| C15H22O | 218.16707 | -0.349 | Albaflavenone | KEGG: C17954 KNApSAcK: C00016952 LipidMAPS: LMPR0103700006 |
| C15H22O | 218.16707 | -0.349 | Baccharisketone | KNApSAcK: C00029766 |
| C15H22O | 218.16707 | -0.349 | Microcionin 2 | KNApSAcK: C00011581 |
| C15H22O | 218.16707 | -0.349 | Turmerone | HMDB: HMDB0303655 KEGG: C17494 KNApSAcK: C00011641 |
| C15H22O | 218.16707 | -0.349 | Euryfuran | KNApSAcK: C00020303 |
| C15H22O | 218.16707 | -0.349 | Thujopsenone | KNApSAcK: C00021882 |
| C15H22O | 218.16707 | -0.349 | (R)-3,4,6,7,8,8a-Hexahydro-5,8a-dimethyl-3-(1-methylethylidene)-2(1H)-nphthalenone | KNApSAcK: C00012739 |
| C15H22O | 218.16707 | -0.349 | (Z,E,E)-5,8,8-Trimethyl-1,5,9-cycloundecatriene-1-carboxaldehyde | KNApSAcK: C00012459 |
| C15H22O | 218.16707 | -0.349 | Dihydromylione A | KNApSAcK: C00021249 |
| C15H22O | 218.16707 | -0.349 | Isodaucenal | KNApSAcK: C00050898 |
| C15H22O | 218.16707 | -0.349 | (+)-beta-Atlantone | HMDB: HMDB0038187 KNApSAcK: C00011646 |
| C15H22O | 218.16707 | -0.349 | beta-Vetivone | KEGG: C09745 KNApSAcK: C00003199 |
| C15H22O | 218.16707 | -0.349 | (+)-8-Hydroxycalamenene | HMDB: HMDB0303912 KEGG: C09938 KNApSAcK: C00002996 LipidMAPS: LMPR0103330006 |
| C15H22O | 218.16707 | -0.349 | Microcionin 1 | KNApSAcK: C00021933, C00048738 |
| C15H22O | 218.16707 | -0.349 | (+)-Eudesma-3,7(11)-dien-8-one | KNApSAcK: C00035993 |
| C15H22O | 218.16707 | -0.349 | Cubebenone | KNApSAcK: C00045807 |
| C15H22O | 218.16707 | -0.349 | Isopetasan | HMDB: HMDB0302310 KNApSAcK: C00017004 |
| C15H22O | 218.16707 | -0.349 | Guaiacophine | KNApSAcK: C00043549 |
| C15H22O | 218.16707 | -0.349 | 1(10),4-Cadinadien-9-one | KNApSAcK: C00020056 |
| C15H22O | 218.16707 | -0.349 | Arnicenone | KNApSAcK: C00021832 LipidMAPS: LMPR0103760001 |
| C15H22O | 218.16707 | -0.349 | 4,7(11)-Guaiadien-8-one | HMDB: HMDB0038201 |
| C15H22O | 218.16707 | -0.349 | Isoishwarone | KNApSAcK: C00021875 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 219.17427 |
| Splash: splash10-0ik9-0910000000-07c90301bc3bc460b2b3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 163.09 | 25122 | 56 | 1000 |
| 201.17 | 19774 | 18 | 787 |
| 135.06 | 10133 | 84 | 403 |
| 161.10 | 9352 | 58 | 372 |
| 149.07 | 6699 | 70 | 266 |
| 159.02 | 6200 | 60 | 246 |
| 145.05 | 5561 | 74 | 221 |
| 123.05 | 4405 | 96 | 175 |
| 109.02 | 4233 | 110 | 168 |
| 95.01 | 4087 | 124 | 162 |
| 177.03 | 3542 | 42 | 140 |
| 119.02 | 2832 | 100 | 112 |
| 173.05 | 2703 | 46 | 107 |
| 111.01 | 2451 | 108 | 97 |
| 175.16 | 2240 | 44 | 89 |
| 121.04 | 2227 | 98 | 88 |
| 106.96 | 1976 | 112 | 78 |
| 80.97 | 1791 | 138 | 71 |
| 96.94 | 1595 | 122 | 63 |
| 124.96 | 1305 | 94 | 51 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 201.12709 |
| Splash: splash10-052f-0900000000-dcab3336d97580eb2af2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 159.09 | 3451 | 42 | 1000 |
| 144.96 | 3430 | 56 | 993 |
| 173.18 | 1216 | 28 | 352 |
| 119.06 | 759 | 82 | 219 |
| 94.92 | 581 | 106 | 168 |
| 131.01 | 568 | 70 | 164 |
| 107.02 | 479 | 94 | 138 |
| 104.86 | 401 | 96 | 116 |
| 132.99 | 281 | 68 | 81 |
| 108.97 | 249 | 92 | 72 |
| 121.00 | 193 | 80 | 55 |
FlavonoidSearch結果
ヒットなし