ピーク情報

リーフレタスグリーン

pos

Peak #3001 MN MID: SE198_S12_M90

m/z: 503.14603, RT: 32.79, 強度: 7232, ログ強度: 0.36, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (2 names) (1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid;5-S-glutathionyl-L-DOPA

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 2

S: 1

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
C26H27O8Cl	502.13945	-1.369	(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid	HMDB: HMDB0260099
C19H26O10N4S	502.13696	3.574	5-S-glutathionyl-L-DOPA	HMDB: HMDB0062425

MSnスペクトル情報

Level: 2, プリカーサーm/z: 503.14578

Splash: splash10-0a4i-0001900000-7175982935b1a21fec15

m/z	Int.	NL	Rel.Int.
405.30	3408	98	1000
341.23	581	162	170

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Demethoxyisogemichalcone C
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloheterophyllin
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1([2,3:@@]-(6,6-Dimethylpyrano))))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonin N
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin F
[CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone	Artonin M
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone	Artonin O
[Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumaranochromon	Euchretin A

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果