ピーク情報

リーフレタスグリーン

pos

Peak #11662 MN MID: SE198_S12_M90

m/z: 441.15785, RT: 68.69, 強度: 95934, ログ強度: 1.49, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: Azobilirubin

DBごとのヒット数: ALL 1 HM 1

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: 0

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
C22H24O4N4S	440.15183	-2.848	Azobilirubin	HMDB: HMDB0248814

MSnスペクトル情報

Level: 2, プリカーサーm/z: 441.15793

Splash: splash10-014j-0391000000-8cedc474e49290e0d426

m/z	Int.	NL	Rel.Int.
265.09	1077	176	1000
247.08	586	194	543
187.04	419	254	388
233.18	311	208	288
219.14	155	222	143
215.15	148	226	137
161.14	139	280	128
336.99	127	104	117
158.97	113	282	104
395.29	110	46	102
423.01	88	18	81
197.11	87	244	80
185.09	80	256	74
355.18	75	86	69
174.89	71	266	66
405.08	71	36	65
163.17	66	278	61
213.13	56	228	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH)	Dihydroflavonol	Kushenol L
0.032	[Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH)	Flavanone	Kenusanone B
0.000	[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Dihydrochalcone	3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	Dihydrochalcone	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl))	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
0.000	[Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH)	Flavanone	Lonchocarpol E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	2'',3''-Dihydroxylupinifolin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH)	Flavanone	Dorsmanin H
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin G
0.000	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone V
0.000	[Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone VI
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone E
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone G
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH)	Dihydroflavonol	Diplacol
0.000	[Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol X
0.000	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene)))	Flavan 3-ol	Amurensisin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyerythynone

Level: 3, プリカーサーm/z: 265.09201

Splash: splash10-014i-0490000000-29e74bcd4c94be8a6cd6

m/z	Int.	NL	Rel.Int.
215.15	392	50	1000
219.06	289	46	738
247.04	181	18	462
161.12	167	104	427
159.06	86	106	220
185.11	46	80	118
157.08	41	108	103
237.18	39	28	98
197.06	25	68	64
229.29	22	36	55
162.99	21	102	53
191.01	20	74	51
187.04	20	78	50
203.03	20	62	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	2'-Hydroxychalcone	2'-Hydroxyfurano[2'',3'':4',3']chalcone

Level: 3, プリカーサーm/z: 247.07614

Splash: splash10-02t9-0490000000-fd6449ce9e3ea3edeb6b

m/z	Int.	NL	Rel.Int.
219.08	270	28	1000
213.07	234	34	867
185.15	81	62	299
201.12	46	46	170
157.11	44	90	162
197.19	39	50	142
159.06	38	88	139
143.06	24	104	88
171.08	22	76	82
195.04	20	52	75
183.17	16	64	60
229.30	16	18	58

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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