ピーク情報

ヒメツリガネゴケ　茎葉体（ガメトフォア）

pos

Peak #4393 MN MID: SE205_S04_M90

m/z: 593.27609, RT: 104.61, 強度: 277699, ログ強度: 2.02, 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: (7 names) Pheophorbide a;131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;chlorophyllide a;Pheophorbide a;Scortechinone B;(-)-Scortechinone B;Moreollic acid

DBごとのヒット数: ALL 6 KG 1 KN 2 HM 3

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C35H36O5N4	592.26857	0.409	Phaeophorbide a	KNApSAcK: C00036413, C00048505
C35H36O5N4	592.26857	0.409	131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester	HMDB: [-2f]HMDB0304019
C35H36O5N4	592.26857	0.409	Bacteriochlorophyllide g	KEGG: [-2f]C21441
C35H36O5N4	592.26857	0.409	13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester	KEGG: [-2f]C11829
C35H36O5N4	592.26857	0.409	Chlorophyllide	HMDB: [-2]HMDB0304288 KEGG: [-2f]C02139
C35H36O5N4	592.26857	0.409	Pheophorbide a	HMDB: HMDB0256449 KEGG: C18021
C34H40O9	592.26723	2.667	Scortechinone B	KNApSAcK: C00042968, C00042972
C34H40O9	592.26723	2.667	Moreollic acid	KNApSAcK: C00032031, C00055952

MSnスペクトル情報

Level: 2, プリカーサーm/z: 593.27423

Splash: splash10-001i-0000090000-d7b50bd4891316c850c2

m/z	Int.	NL	Rel.Int.
533.36	313691	60	1000
534.44	88991	59	283

Level: 3, プリカーサーm/z: 533.38159

Splash: splash10-03di-0000900000-ef015e69de92e5fc4fb1

m/z	Int.	NL	Rel.Int.
461.37	101376	72	1000
460.53	31192	73	307
476.40	24771	57	244
477.39	23866	56	235
462.45	22802	71	224
433.28	19542	100	192
505.36	8872	28	87
504.36	7806	29	76
489.39	7254	44	71

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Isogemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Gemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyrottlerin
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2'',6''-O-diacetate
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(2OMe)	Flavone	6''-O-Acetylisoorientin 7,3',4'-trimethyl ether
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 2'',6''-O-diacetate
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-(2'''-methylbutyrate)

Level: 3, プリカーサーm/z: 534.36005

Splash: splash10-03di-0000900000-5166d76df69d1a770368

m/z	Int.	NL	Rel.Int.
462.36	22841	72	1000
461.34	8033	73	351
477.35	6832	57	299
478.41	3681	56	161
434.42	2474	100	108
505.38	1866	29	81
506.42	1820	28	79
489.47	1192	45	52

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
	104.63	615.25863	21.9825	0.58	[M+Na]+	(7 names) Pheophorbide a; 131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester; chlorophyllide a; Pheophorbide a; Scortechinone B; (-)-Scortechinone B; Moreollic acid	ALL 6 KG 1 KN 2 HM 3	MS2 MS3			5
4393	104.61	593.27609	0.0000	2.02	[M+H]+	(7 names) Pheophorbide a; 131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester; chlorophyllide a; Pheophorbide a; Scortechinone B; (-)-Scortechinone B; Moreollic acid	ALL 6 KG 1 KN 2 HM 3	MS2 MS3 x 2			9

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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