ピーク情報

パセリ　根

neg

Peak #8274 MN MID: SE61_S24_M91

m/z: 453.16834, RT: 87.67, 強度: 71885, ログ強度: 1.44, アダクト: [M+HCl-H]-, 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) Kuhistanicaol I;(+)-Kuhistanicaol I;Polysyphorin;Norcaesalpinin C;(-)-Norcaesalpinin C;Artelinate;Methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate;Caesalpinin F;(+)-Caesalpinin F;S...

DBごとのヒット数: ALL 24 KG 2 KN 16 HM 6

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
C23H30O7	418.19915	-0.520	Kuhistanicaol I	KNApSAcK: C00037404
C23H30O7	418.19915	-0.520	Artelinate	HMDB: HMDB0248619
C23H30O7	418.19915	-0.520	Polysyphorin	KNApSAcK: C00046323
C23H30O7	418.19915	-0.520	Norcaesalpinin C	KNApSAcK: C00042790
C23H30O7	418.19915	-0.520	Methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate	HMDB: HMDB0254561
C23H30O7	418.19915	-0.520	Caesalpinin F	KNApSAcK: C00042327
C23H30O7	418.19915	-0.520	Sequoiamonascin A	KNApSAcK: C00053780, C00053781
C23H30O7	418.19915	-0.520	Rhaphidecursinol A	KNApSAcK: C00046356
C23H30O7	418.19915	-0.520	(1a,5b,6a)-7-Protoilludene-1,5,6,14-tetrol 14-(2,4-dihydroxy-6-methylbenzoic acid)	HMDB: HMDB0031368
C23H30O7	418.19915	-0.520	Biondinin E	KEGG: C17852
C23H30O7	418.19915	-0.520	(+)-Bisabosqual D	KNApSAcK: C00015990
C23H30O7	418.19915	-0.520	Norcaesalpinin A	KNApSAcK: C00042788
C23H30O7	418.19915	-0.520	Judeol	HMDB: HMDB0034607
C23H30O7	418.19915	-0.520	Sarglaperoxide B	KNApSAcK: C00053768
C23H30O7	418.19915	-0.520	13-Hydroxydihydromelleolide	HMDB: HMDB0036929 KNApSAcK: C00021467
C23H30O7	418.19915	-0.520	Norcaesalpinin MA	KNApSAcK: C00043780
C23H30O7	418.19915	-0.520	Asteltoxin	HMDB: HMDB0029464 KNApSAcK: C00054807
C23H30O7	418.19915	-0.520	Melleolide E	HMDB: HMDB0038785
C23H30O7	418.19915	-0.520	Gomisin H	KEGG: C17820
C23H30O7	418.19915	-0.520	Norcaesalpinin B	KNApSAcK: C00042789
C23H30O7	418.19915	-0.520	Acanthoglabrolide	KNApSAcK: C00011854
C23H30O7	418.19915	-0.520	Rhaphidecursinol B	HMDB: HMDB0030828 KNApSAcK: C00046357, C00054634
C23H30O7	418.19915	-0.520	Diosbulbin H	HMDB: HMDB0036781
C23H30O7	418.19915	-0.520	Sequoiamonascin C	KNApSAcK: C00053782

MSnスペクトル情報

Level: 2, プリカーサーm/z: 453.16830

Splash: splash10-05fr-0809200000-c988fddf6e6656de33c2

m/z	Int.	NL	Rel.Int.
174.97	11027	278	1000
355.21	4916	98	445
399.11	2299	54	208
339.28	1607	114	145
407.40	1562	46	141
417.19	999	36	90
313.25	866	140	78
357.32	716	96	64
381.29	687	72	62

Level: 3, プリカーサーm/z: 174.93983

Splash: splash10-03di-1900000000-31ce74e5988f95324e7d

m/z	Int.	NL	Rel.Int.
114.98	1476	60	1000
70.97	144	104	97
113.06	138	62	93
84.94	85	90	57

Level: 3, プリカーサーm/z: 355.29150

Splash: splash10-056r-0069000000-699a1aa5aefc877b2fc2

m/z	Int.	NL	Rel.Int.
307.28	344	48	1000
227.02	319	128	926
325.30	275	30	798
337.32	235	18	682
297.34	212	58	616
309.19	206	46	599
313.36	122	42	354
211.17	83	144	242
281.21	80	74	233
295.23	50	60	146
270.24	50	85	144
312.73	47	43	135
311.39	44	44	127
308.03	41	47	117
282.26	37	73	106
327.30	31	28	89
240.27	27	115	77
293.35	25	62	71
296.26	23	59	65
147.12	19	208	55

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	共有数
	87.68	463.19731	10.0290	1.13	[M+HCOOH-H]-	(32 names) Kuhistanicaol I; (+)-Kuhistanicaol I; Polysyphorin; Norcaesalpinin C; (-)-Norcaesalpinin C; Artelinate; Methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate; Caesalpinin F; (+)-Caesalpinin F; S...	ALL 24 KG 2 KN 16 HM 6		1
8274	87.67	453.16834	0.0000	1.44	[M+HCl-H]-	(32 names) Kuhistanicaol I; (+)-Kuhistanicaol I; Polysyphorin; Norcaesalpinin C; (-)-Norcaesalpinin C; Artelinate; Methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate; Caesalpinin F; (+)-Caesalpinin F; S...	ALL 24 KG 2 KN 16 HM 6	MS2 MS3 x 2	1
	87.68	417.19178	-35.9766	1.10	[M-H]-	(32 names) Kuhistanicaol I; (+)-Kuhistanicaol I; Polysyphorin; Norcaesalpinin C; (-)-Norcaesalpinin C; Artelinate; Methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate; Caesalpinin F; (+)-Caesalpinin F; S...	ALL 24 KG 2 KN 16 HM 6	MS2 MS3 x 2	1
	87.68	399.18130	-53.9870	0.27	[M-H2O-H]-	(32 names) Kuhistanicaol I; (+)-Kuhistanicaol I; Polysyphorin; Norcaesalpinin C; (-)-Norcaesalpinin C; Artelinate; Methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate; Caesalpinin F; (+)-Caesalpinin F; S...	ALL 24 KG 2 KN 16 HM 6	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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