ピーク情報

たらのめ若芽生

pos

Peak #11419 MN MID: SE114_S061571_M90

m/z: 323.25819, RT: 92.22, 強度: 11552, ログ強度: 0.71, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9

DB検索結果: (97 names) Austroinulin;;Varodiol;Boletinin C;Andalusol;2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol;Pacificanone A;8beta,15-Dihydroxy-ent-labda-13E-en-3-one;Havardic acid B;Boletinin B;Leucophleol...

DBごとのヒット数: ALL 82 KG 3 KN 61 HM 5 LM 13

FlavonoidSearch最大スコア MS2: 0.250, 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
C20H34O3	322.25079	0.359	Austroinulin	HMDB: HMDB0036802 KNApSAcK: C00022748, C00022749, C00023255
C20H34O3	322.25079	0.359		LipidMAPS: LMPR0104150001
C20H34O3	322.25079	0.359	Varodiol	KNApSAcK: C00022344
C20H34O3	322.25079	0.359	Boletinin C	KNApSAcK: C00054684
C20H34O3	322.25079	0.359	Andalusol	KNApSAcK: C00022752
C20H34O3	322.25079	0.359	2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol	KEGG: C14970
C20H34O3	322.25079	0.359	Pacificanone A	KNApSAcK: C00039915, C00039916
C20H34O3	322.25079	0.359	Havardic acid B	KNApSAcK: C00023296
C20H34O3	322.25079	0.359	8beta,15-Dihydroxy-ent-labda-13E-en-3-one	KNApSAcK: C00023358
C20H34O3	322.25079	0.359	Boletinin B	KNApSAcK: C00054683
C20H34O3	322.25079	0.359	Leucophleol	KNApSAcK: C00038187, C00046079
C20H34O3	322.25079	0.359	ent-4beta,18-Epoxy-15-Clerodanoic acid	KNApSAcK: C00023518, C00023519
C20H34O3	322.25079	0.359		LipidMAPS: LMPR0104240011
C20H34O3	322.25079	0.359	Salvic acid	KNApSAcK: C00022424, C00022425
C20H34O3	322.25079	0.359	16-Hydroxycarterochaetol	KNApSAcK: C00022335
C20H34O3	322.25079	0.359	11,15-Dihydroxy-10beta,20-epoxy-9,10-seco-ent-labda-8E,13E-diene	KNApSAcK: C00023355
C20H34O3	322.25079	0.359	Pacificin D	KNApSAcK: C00042816
C20H34O3	322.25079	0.359	Antibiotic FR 900478	KNApSAcK: C00017879
C20H34O3	322.25079	0.359	9,10-Seco-8,10(20),13-labdatriene-3,11,15-triol	KNApSAcK: C00023375
C20H34O3	322.25079	0.359	11,16-Dihydroxy-10beta,20-epoxy-9,10-seco-ent-labda-8E,13Z-diene	KNApSAcK: C00023356
C20H34O3	322.25079	0.359	5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid	LipidMAPS: LMFA03050005, LMFA03050028
C20H34O3	322.25079	0.359	Siegesbeckiol	KNApSAcK: C00044314
C20H34O3	322.25079	0.359	Gypopinifolone	KNApSAcK: C00022614
C20H34O3	322.25079	0.359	Boletinin D	KNApSAcK: C00054685
C20H34O3	322.25079	0.359	Pacificin B	KNApSAcK: C00042814
C20H34O3	322.25079	0.359	Darutigenol	KNApSAcK: C00031722
C20H34O3	322.25079	0.359	Imbricatolic acid	KNApSAcK: C00023300
C20H34O3	322.25079	0.359	17,18-Epoxy-11Z,14Z-Eicosadienoic acid	LipidMAPS: LMFA01070029
C20H34O3	322.25079	0.359	ent-3alpha,4alpha-Epoxy-15-clerodanoic acid	KNApSAcK: C00023516
C20H34O3	322.25079	0.359	Blepharizol B	KNApSAcK: C00022341
C20H34O3	322.25079	0.359	Cyclooctatin	KEGG: C21979 KNApSAcK: C00016765
C20H34O3	322.25079	0.359	Hydrohalimic acid	KNApSAcK: C00023446
C20H34O3	322.25079	0.359	2,14-Dihydroxy-2,6,10,14-tetramethyl-3,10,15-hexadecatrien-5-one	KNApSAcK: C00022040
C20H34O3	322.25079	0.359	Jabugodiol	KNApSAcK: C00022348, C00022349
C20H34O3	322.25079	0.359	Gomeric acid	KNApSAcK: C00022297
C20H34O3	322.25079	0.359		LipidMAPS: LMPR0104110002
C20H34O3	322.25079	0.359	Jhanidiol	KNApSAcK: C00022342
C20H34O3	322.25079	0.359	18,19-Dihydroxynerylgeraniol	KNApSAcK: C00022107
C20H34O3	322.25079	0.359	18-Hydroxy-cis-clerodan-3-ene-15-oic acid	KNApSAcK: C00044425
C20H34O3	322.25079	0.359	12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid	HMDB: HMDB0062290 LipidMAPS: LMFA03050012
C20H34O3	322.25079	0.359		LipidMAPS: LMPR01040117, LMPR01040118
C20H34O3	322.25079	0.359	3,4-Dimethyl-5-propyl-2-furanundecanoic acid	HMDB: HMDB0061647 LipidMAPS: LMFA01150012
C20H34O3	322.25079	0.359	15-Hydroxy-8,9-dioxo-seco-ent-labd-13E-ene	KNApSAcK: C00022613
C20H34O3	322.25079	0.359	3beta,15-Dihydroxy-8-labden-7-one	KNApSAcK: C00023330
C20H34O3	322.25079	0.359	Suremulol A	KNApSAcK: C00043944
C20H34O3	322.25079	0.359		LipidMAPS: LMPR0104240002
C20H34O3	322.25079	0.359	5R,6R-epoxy-eicos-7-ynoic acid	LipidMAPS: LMFA01070040, LMFA01070043
C20H34O3	322.25079	0.359	12(r)-Hydroxyeicosatrienoic acid	HMDB: HMDB0258142
C20H34O3	322.25079	0.359	5,13-Dihydroxygeranyllinalol	KNApSAcK: C00021087
C20H34O3	322.25079	0.359	Tectograndinol	KNApSAcK: C00022743
C20H34O3	322.25079	0.359	8alpha,12R-Epoxy-13E-labden-1beta,11alpha-diol	KNApSAcK: C00022358
C20H34O3	322.25079	0.359	Bincatriol	KNApSAcK: C00035542
C20H34O3	322.25079	0.359	20-Hydroxyeicosatrieneoic acid	HMDB: HMDB0245565
C20H34O3	322.25079	0.359	Sinulaflexiolide I	KNApSAcK: C00040313
C20H34O3	322.25079	0.359	2alpha-Hydroxy-7-labden-15-oic acid	KNApSAcK: C00023294
C20H34O3	322.25079	0.359	(8alpha,13E)-8,15-Dihydroxy-13-labden-19-al	KNApSAcK: C00022241
C20H34O3	322.25079	0.359	8-HETrE	HMDB: HMDB0060052 LipidMAPS: LMFA03050011, LMFA03050029, LMFA03050030
C20H34O3	322.25079	0.359	6beta,18-Dihydroxy-12E-abienol	KNApSAcK: C00022750
C20H34O3	322.25079	0.359	5,13-Dihydroxygeranylgeraniol	KNApSAcK: C00022104
C20H34O3	322.25079	0.359	3,4-Dimethyl-5-pentyl-2-furannonanoic acid	HMDB: HMDB0061645 LipidMAPS: LMFA01150011
C20H34O3	322.25079	0.359	ent-7,13Z-Labdadiene-15,16,17-triol	KNApSAcK: C00022739
C20H34O3	322.25079	0.359	Villenatriol	KNApSAcK: C00022745
C20H34O3	322.25079	0.359	2,3-Dihydroxymanoyl oxide	KNApSAcK: C00022299
C20H34O3	322.25079	0.359	15-oxo-11Z,13E-eicosadienoic acid	LipidMAPS: LMFA01060073
C20H34O3	322.25079	0.359	15,16,17-Trihydroxy-ent-cleroda-3,13Z-diene	KNApSAcK: C00022789
C20H34O3	322.25079	0.359	Stellettic acid A	KNApSAcK: C00045078 LipidMAPS: LMFA02000376
C20H34O3	322.25079	0.359	9,10-Seco-8,10(20),13-labdatriene-11,15,16-triol	KNApSAcK: C00023352, C00023377
C20H34O3	322.25079	0.359	Pacificin L	KNApSAcK: C00030916
C20H34O3	322.25079	0.359	3-Deoxyaphidicolin	KNApSAcK: C00023945
C20H34O3	322.25079	0.359	2alpha,3alpha,15-Trihydroxy-ent-labda-7,13E-diene	KNApSAcK: C00022796
C20H34O3	322.25079	0.359	12(S)-HETrE	HMDB: HMDB0062747
C20H34O3	322.25079	0.359	Boletinin A	KNApSAcK: C00054682
C20H34O3	322.25079	0.359	17,20-Dihydroxygeranylnerol	KNApSAcK: C00022106
C20H34O3	322.25079	0.359	8alpha,12S-Epoxy-13E-labden-1beta,6beta-diol	KNApSAcK: C00022357
C20H34O3	322.25079	0.359	Villenolone	KNApSAcK: C00022252
C20H34O3	322.25079	0.359	[2S-[2alpha,3alpha,4abeta,5beta(S*),8aalpha]]-1,2,3,4,4a,5,8,8a-Octahydro-5-(3-hydroxy-3-methyl-4-pentenyl)-1,1,4a,6-tetramethyl-2,3-naphthalenediol	KNApSAcK: C00023211
C20H34O3	322.25079	0.359	15(S)-Hydroxyeicosatrienoic acid	HMDB: HMDB0005045 LipidMAPS: LMFA03050007, LMFA03050026
C20H34O3	322.25079	0.359	17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol	KEGG: C15285
C20H34O3	322.25079	0.359	15-hydroxy-cis-clerodan 3-ene-18-oic acid	KNApSAcK: C00044423
C20H34O3	322.25079	0.359	5-Heptyl-3,4-dimethyl-2-furanheptanoic acid	HMDB: HMDB0112091
C20H34O3	322.25079	0.359	5-Hexyl-3-methyl-2-furannonanoic acid	HMDB: HMDB0112104
C20H34O3	322.25079	0.359	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol	KNApSAcK: C00029324
C20H34O3	322.25079	0.359	12,19-Dihydroxygeranylgeraniol	KNApSAcK: C00022105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 323.25812

Splash: splash10-001i-0190000000-95ca98e0e7db71239bd0

m/z	Int.	NL	Rel.Int.
281.25	3248	42	1000
263.22	1520	60	468
245.40	521	78	160
305.32	510	18	156
189.14	312	134	96
149.09	222	174	68
161.13	215	162	66
122.90	174	200	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.300	[Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydroflavonol	3-Hydroxyisolonchocarpin
0.250	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Neorautenol
0.250	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Phaseollin
0.250	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Isoneorautenol
0.235	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Flemichapparin A
0.222	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Derricin
0.214	[Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Chalcone	Munsericin
0.200	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Kanzonol D
0.200	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Licoflavone A
0.200	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin
0.167	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	4'-Hydroxyisolonchocarpin
0.167	[Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinone I
0.167	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Kanzonol B
0.167	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Isobavachromene
0.167	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromene
0.150	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(none)	Flavanone	Isoderricin A
0.143	[Flavone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavone	7,4'-Dihydroxy-8-prenylflavone
0.143	[Flavone]-A(2OH, 1(C-Prenyl))-B(none)	Flavone	5,7-Dihydroxy-8-prenylflavone
0.087	[Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Neobavaisoflavone
0.083	[Flavan 3-ol]-A(4OH)-B(2OH)	Flavan 3-ol	Elephantorrhizol
0.000	[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	Ovalitenin C
0.000	[Flavone]-A(1([2,3:@@]-Furano))-B(2OMe)	Flavone	Millettocalyxin C
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavonol	3,4'-Dimethoxyfurano[2,3:7,8]flavone
0.000	[Flavan 3,4-diol]-A(2OH)-B(3OH)	Flavan 3,4-diol	Gallocatechin-4-ol
0.000	[isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	isoflavene	Glabrene

Level: 3, プリカーサーm/z: 281.25311

Splash: splash10-03di-0090000000-02b79175a53552288785

m/z	Int.	NL	Rel.Int.
263.29	1870	18	1000
245.48	150	36	79

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH)	Pterocarpan	Neodunol

Level: 3, プリカーサーm/z: 263.28815

Splash: splash10-0002-1960000000-9393e247f520a7540be1

m/z	Int.	NL	Rel.Int.
245.20	229	18	1000
94.92	73	168	320
138.91	57	124	249
147.22	48	116	207
175.31	47	88	203
149.12	44	114	192
137.11	38	126	165
163.23	34	100	148
151.20	29	112	125
121.12	25	142	109
202.63	19	61	81
161.04	15	102	64