ピーク情報

わらび生わらび生

pos

Peak #3641 MN MID: SE116_S063241_M90

m/z: 363.18007, RT: 47.13, 強度: 113312, ログ強度: 1.56, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (37 names) [3aR-(3aalpha,4beta,6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta)]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 3-methylbutanoic acid;Pteros...

DBごとのヒット数: ALL 31 KG 2 KN 26 HM 3

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
C20H28O7	380.18350	-0.393	[3aR-(3aalpha,4beta,6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta)]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 3-methylbutanoic acid	KNApSAcK: C00020703
C20H28O7	380.18350	-0.393	Pteroside B	HMDB: HMDB0030760
C20H28O7	380.18350	-0.393	Deacetylisovaltrate	HMDB: HMDB0035840 KNApSAcK: C00055377
C20H28O7	380.18350	-0.393	Hebeirubescensin G	KNApSAcK: C00039343, C00039344
C20H28O7	380.18350	-0.393	Argophyllin A	KNApSAcK: C00012151
C20H28O7	380.18350	-0.393	Pulchelloid A	KNApSAcK: C00021151
C20H28O7	380.18350	-0.393	Deacetylvaltrate	KNApSAcK: C00055378
C20H28O7	380.18350	-0.393	2,3-Didehydrocinnzeylanone	KNApSAcK: C00036450
C20H28O7	380.18350	-0.393	Parvifoline D	KNApSAcK: C00040686, C00041725
C20H28O7	380.18350	-0.393	2alpha-Tigloyloxydugaldiolide	KNApSAcK: C00020894
C20H28O7	380.18350	-0.393	Xerophilusin IX	KNApSAcK: C00040688
C20H28O7	380.18350	-0.393	3beta,4alpha,7beta,10beta-Tetrahydroxy-15,16-epoxy-labda-13(16),14-dien-20,12-olide	KNApSAcK: C00022458
C20H28O7	380.18350	-0.393	Lobatin A	KNApSAcK: C00012318
C20H28O7	380.18350	-0.393	Tithonin	KNApSAcK: C00012145
C20H28O7	380.18350	-0.393	Argophyllin B	KNApSAcK: C00012152
C20H28O7	380.18350	-0.393	Euperfolitin	KNApSAcK: C00012160
C20H28O7	380.18350	-0.393	Eupachinilide H	KNApSAcK: C00043499
C20H28O7	380.18350	-0.393	(+)-Elemacarmanin	KNApSAcK: C00012055
C20H28O7	380.18350	-0.393	Steenkrotin B	KNApSAcK: C00040387
C20H28O7	380.18350	-0.393	1beta-Methoxydiversifolin	KNApSAcK: C00029417
C20H28O7	380.18350	-0.393	Melnerin A	KNApSAcK: C00011762
C20H28O7	380.18350	-0.393	Maoyecrystal D	KNApSAcK: C00047990
C20H28O7	380.18350	-0.393	Neurolenin D	KNApSAcK: C00041071 LipidMAPS: LMPR0103090042
C20H28O7	380.18350	-0.393	6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide	HMDB: HMDB0041228
C20H28O7	380.18350	-0.393	Cinncassiol C1	HMDB: HMDB0035166 KEGG: C17643 KNApSAcK: C00055040
C20H28O7	380.18350	-0.393	Chaparrin	KEGG: C08756 KNApSAcK: C00003706
C20H28O7	380.18350	-0.393	Neurolenin C	KNApSAcK: C00041070 LipidMAPS: LMPR0103090043
C20H28O7	380.18350	-0.393	3alpha,4beta,8beta,10beta-Tetrahydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide	KNApSAcK: C00022557
C20H28O7	380.18350	-0.393	[3aR-[3aalpha,4beta(S*),6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta]]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 2-methylbutanoic acid	KNApSAcK: C00020702
C20H28O7	380.18350	-0.393	[3aS-(3aR,4R,5R,6R,10E,11aS*)]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-5,6-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid	KNApSAcK: C00012314
C21H24O3N4	380.18484	-3.911	(1S)-1-(3-Methoxyphenyl)-2-[4-[4-[(propan-2-ylideneamino)oxymethyl]phenyl]triazol-1-yl]ethanol	HMDB: HMDB0250376

MSnスペクトル情報

Level: 2, プリカーサーm/z: 363.18005

Splash: splash10-0udi-0090000000-b38e7a069a7704598467

m/z	Int.	NL	Rel.Int.
201.07	139939	162	1000
219.10	29744	144	212

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavanone	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
[Isoflavan]-A(1OH, 2OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol B
[Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 8,3'-dimethyl ether
[Flavonol]-A(2OH, 2OMe)-B(2OH)	Flavonol	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
[Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none)	Flavanone	Isochamanetin
[Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none)	Flavanone	Chamanetin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone
[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(2OH)	Flavonol	5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone
[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Flavan 3-ol	3,7,8,3',4'-Pentahydroxy-5-methoxyflavan 3-O-acetate

Level: 3, プリカーサーm/z: 219.18112

Splash: splash10-0udi-0090000000-033500ce40afff094718

m/z	Int.	NL	Rel.Int.
201.08	21071	18	1000

Level: 3, プリカーサーm/z: 201.04169

Splash: splash10-05ai-0900000000-46a11733e1762b1f33ab

m/z	Int.	NL	Rel.Int.
183.07	20582	18	1000
172.97	15836	28	769
167.99	7977	33	387
145.05	4189	56	203
159.06	4162	42	202
155.16	3594	46	174
157.03	2544	44	123
171.15	2191	30	106
186.05	1760	15	85
143.05	1644	58	79
131.06	1318	70	64

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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FlavonoidSearch結果

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	FS3	共有数
	47.14	381.19068	18.0106	1.49	[M+H]+	(37 names) [3aR-(3aalpha,4beta,6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta)]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 3-methylbutanoic acid; Pteros...	ALL 31 KG 2 KN 26 HM 3				2
3641	47.13	363.18007	0.0000	1.56	[M-H2O+H]+	(37 names) [3aR-(3aalpha,4beta,6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta)]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 3-methylbutanoic acid; Pteros...	ALL 31 KG 2 KN 26 HM 3	MS2 MS3 x 2			6