ピーク情報

パセリ　根

pos

Peak #9424 MN MID: SE61_S24_M90

m/z: 429.13114, RT: 93.53, 強度: 18151, ログ強度: 0.76, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (32 names) Rosmic acid;Salvinorin B;(-)-Salvinorin B;(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol;Siamenol A;Linearilobin D;Siamenol B;(-)-Siamenol ...

DBごとのヒット数: ALL 27 KG 1 KN 19 HM 5 LM 2

FlavonoidSearch最大スコア MS2: 0.053, 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
C21H26O7	390.16785	0.330	Rosmic acid	HMDB: HMDB0032082
C21H26O7	390.16785	0.330	Salvinorin B	KNApSAcK: C00034670
C21H26O7	390.16785	0.330	(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol	HMDB: HMDB0030502
C21H26O7	390.16785	0.330	Siamenol A	KNApSAcK: C00031375
C21H26O7	390.16785	0.330	Siamenol B	KNApSAcK: C00031376
C21H26O7	390.16785	0.330	Linearilobin D	KNApSAcK: C00012274
C21H26O7	390.16785	0.330		LipidMAPS: LMPR0103090031, LMPR0103090032
C21H26O7	390.16785	0.330	5-methoxy-trans-dihydrodehydrodiconiferyl alcohol	KNApSAcK: C00000685
C21H26O7	390.16785	0.330	Erioflorin acetate	KEGG: C09412 KNApSAcK: C00003260
C21H26O7	390.16785	0.330	Nudaphantin	KNApSAcK: C00011747
C21H26O7	390.16785	0.330	Arctigenic acid	HMDB: HMDB0248567
C21H26O7	390.16785	0.330	Linearilobin H	KNApSAcK: C00012278
C21H26O7	390.16785	0.330	Stilbostemin B 3'-beta-D-glucopyranoside	KNApSAcK: C00041895
C21H26O7	390.16785	0.330	Pilatin	KNApSAcK: C00017636
C21H26O7	390.16785	0.330	[3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid	KNApSAcK: C00020862, C00020864
C21H26O7	390.16785	0.330	Norcaesalpinin F	KNApSAcK: C00030833
C21H26O7	390.16785	0.330	Lunatoic acid B	KNApSAcK: C00053445
C21H26O7	390.16785	0.330	Salvinorin H	KNApSAcK: C00041826
C21H26O7	390.16785	0.330	Pseudolaric acid C	KNApSAcK: C00049280
C21H26O7	390.16785	0.330	Amarin	KNApSAcK: C00011819
C21H26O7	390.16785	0.330	Clementein	KNApSAcK: C00020991, C00020992
C21H26O7	390.16785	0.330		LipidMAPS: LMPR0103090016
C21H26O7	390.16785	0.330	Sphaerocephalin	KNApSAcK: C00011873
C21H26O7	390.16785	0.330	5'-Methoxylariciresinol	KNApSAcK: C00050731
C21H26O7	390.16785	0.330	Linearilobin E	KNApSAcK: C00012275
C22H22O3N4	390.16919	-3.098	Tryptophyl-Tryptophan	HMDB: HMDB0029094
C20H21ON4F3	390.16675	3.168	Flibanserin	HMDB: HMDB0252304

MSnスペクトル情報

Level: 2, プリカーサーm/z: 429.13065

Splash: splash10-000i-0091000000-f751780bdbb69b03c4f7

m/z	Int.	NL	Rel.Int.
236.98	2376	192	1000
341.04	377	88	158
238.04	330	191	138
411.37	178	18	74
342.06	174	87	73

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.053	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(3OMe)	Flavanone	Heteroflavanone B
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1-Hydroxy-6-oxo-2-cyclohexene-1-carbonyl>))	Flavan 3-ol	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
0.000	[Rotenone]-A(1([2,3:@@]-(5-(1,2-Dihydroxy-1-methylethyl)dihydrofurano)))-B(2OMe)	Rotenone	Amorphigenol
0.000	[12a-Hydroxyrotenoid 12-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	12a-Hydroxyrotenoid 12-ol	12-Dihydrodalbinol

関連ピーク情報

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	共有数
9424	93.53	429.13114	0.0000	0.76	[M+K]+	(32 names) Rosmic acid; Salvinorin B; (-)-Salvinorin B; (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol; Siamenol A; Linearilobin D; Siamenol B; (-)-Siamenol ...	ALL 27 KG 1 KN 19 HM 5 LM 2	MS2	0.053	1
	93.55	413.15711	-15.9740	0.64	[M+Na]+	(32 names) Rosmic acid; Salvinorin B; (-)-Salvinorin B; (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol; Siamenol A; Linearilobin D; Siamenol B; (-)-Siamenol ...	ALL 27 KG 1 KN 19 HM 5 LM 2	MS2 MS3		1
	93.53	408.20163	-20.9295	0.09	[M+NH4]+	(32 names) Rosmic acid; Salvinorin B; (-)-Salvinorin B; (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol; Siamenol A; Linearilobin D; Siamenol B; (-)-Siamenol ...	ALL 27 KG 1 KN 19 HM 5 LM 2	MS2		1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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