ピーク情報

細ネギ（若香）地下部

pos

Peak #5812 MN MID: SE201_S21_M90

m/z: 695.36330, RT: 55.05, 強度: 11770, ログ強度: 0.49, 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: (9 names) Periforoside I;(+)-Periforoside I;Cucurbitacin K 2-O-beta-D-glucopyranoside;Cucurbitacin K 2-O-beta-glucopyranoside;Boivinide B;Khekadaengoside F;(-)-Khekadaengoside F;N1,N4,N12-tris(dihydrocaffeoyl)s...

DBごとのヒット数: ALL 7 KN 5 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.273

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
C36H54O13	694.35644	-0.600	Periforoside I	KNApSAcK: C00034104
C36H54O13	694.35644	-0.600	Cucurbitacin K 2-O-beta-D-glucopyranoside	KNApSAcK: C00030032, C00036961
C36H54O13	694.35644	-0.600	Boivinide B	KNApSAcK: C00038613
C36H54O13	694.35644	-0.600	Khekadaengoside F	KNApSAcK: C00037378
C37H50O9N4	694.35778	-2.526	N1,N4,N12-tris(dihydrocaffeoyl)spermine	KNApSAcK: C00056004
C40H54O8S	694.35394	3.003	(3R,1'R,3'R,5'R)-19,3',17'-trihydroxy-6'-oxo-7,8-didehydro-beta,kappa-caroten-3-yl sulphate	LipidMAPS: LMPR01071028
C40H54O8S	694.35394	3.003		LipidMAPS: LMPR01070160

MSnスペクトル情報

Level: 2, プリカーサーm/z: 695.36304

Splash: splash10-0f92-0055901000-eaf6e98891a331a6d7a8

m/z	Int.	NL	Rel.Int.
447.27	2340	248	1000
303.19	1657	392	708
429.38	752	266	321
225.17	605	470	258
285.23	601	410	256
243.18	582	452	248
677.33	307	18	131
411.36	242	284	103
659.45	242	36	103
641.27	221	54	94
259.23	193	436	82
315.26	171	380	73
369.36	158	326	67
445.32	148	250	63
393.35	138	302	58

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavanone]-A(2OH, 1((1S)-3-(4-methyl-3-pentenyl)-5beta-(2,4-dihydroxyphenyl)-6alpha-(2,4-dihydroxybenzoyl)-2-cyclohexene-1beta-yl))-B(2OH)	Flavanone	Sanggenon G

Level: 3, プリカーサーm/z: 447.37292

Splash: splash10-0udl-0098000000-9e4d3a83dbf896660252

m/z	Int.	NL	Rel.Int.
303.22	595	144	1000
243.21	349	204	586
225.09	135	222	227
285.14	112	162	187
259.09	81	188	135
429.42	54	18	91
201.21	54	246	90
369.32	48	78	79
315.32	43	132	72
255.10	42	192	70
273.24	35	174	58
385.46	34	62	57

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[Flavone]-A(2OH, 1(C-Glu))-B(1OMe)	Flavone	Cytisoside
0.059	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavone	Isoswertisin
0.059	[Flavone]-A(2OH, 1(C-Glu))-B(1OMe)	Flavone	Isocytisoside
0.059	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavone	Swertisin
0.059	[Isoflavone]-A(1OH, 1(C-Glu))-B(1OH, 1OMe)	Isoflavone	Pueraria glycoside 3
0.059	[Isoflavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Isoflavone	Prunetin 8-C-glucoside
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-(2-Hydroxy-5-methoxycarbonylphenyl)furano)))-B(none)	Dihydrochalcone	Longicaudatin
0.000	[Flavone]-A(2OH, 1(C-Fucosyl))-B(1OH, 1OMe)	Flavone	6-C-fucosyl-3'-methoxyluteoiin
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (4'-Hydroxy)]-A(1OH)-B(1OH, 2OMe)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin	Malvidin 4-vinylphenol

Level: 3, プリカーサーm/z: 303.23447

Splash: splash10-000l-0090000000-4bf32e50cc8a9299bac2

m/z	Int.	NL	Rel.Int.
285.24	316	18	1000
243.23	163	60	515
225.21	126	78	398
216.04	46	87	144
257.15	33	46	105
217.08	32	86	102
267.31	27	36	86

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.375	[Dihydroflavonol]-A(2OH, 1OMe)-B(none)	Dihydroflavonol	3,5,8-Trihydroxy-7-methoxyflavanone
0.273	[Dihydroflavonol]-A(2OH, 1OMe)-B(none)	Dihydroflavonol	Alnustinol
0.222	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 5-methyl ether
0.222	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 7-methyl ether
0.167	[Dihydroflavonol]-A(2OH)-B(1OMe)	Dihydroflavonol	Aromadendrin 4'-methyl ether
0.143	[Isoflavanone]-A(1OH)-B(2OH, 1OMe)	Isoflavanone	7,2',3'-Trihydroxy-4'-methoxyisoflavanone
0.143	[Isoflavanone]-A(2OH)-B(1OH, 1OMe)	Isoflavanone	Ferreirin
0.143	[Isoflavanone]-A(2OH)-B(1OH, 1OMe)	Isoflavanone	Isoferreirin
0.125	[Flavone]-A(3OH)-B(2OH)	Flavone	6-Hydroxyluteolin
0.125	[Flavone]-A(3OH)-B(2OH)	Flavone	Hypolaetin
0.125	[Flavone]-A(2OH)-B(3OH)	Flavone	Tricetin
0.125	[Flavone]-A(2OH)-B(3OH)	Flavone	Isoetin
0.125	[Anthocyanidin]-A(2OH)-B(3OH)	Anthocyanidin	Delphinidin
0.125	[Anthocyanidin]-A(3OH)-B(2OH)	Anthocyanidin	6-Hydroxycyanidin
0.125	[Flavanone]-A(3OH, 1OMe)-B(none)	Flavanone	Oresbiusin
0.118	[Isoflavone]-A(3OH)-B(2OH)	Isoflavone	5,7,8,2',4'-Pentahydroxyisoflavone
0.111	[Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH)	Dihydroflavonol	3-O-Methyl-2,3-trans-fustin
0.091	[Flavonol]-A(2OH)-B(2OH)	Flavonol	3,5,7,2',5'-Pentahydroxyflavone
0.091	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Viscidulin I
0.091	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe)	Flavan 3-ol	Afzelechin 5,4'-dimethyl ether
0.087	[Flavonol]-A(3OH)-B(1OH)	Flavonol	6-Hydroxykaempferol
0.087	[Flavonol]-A(3OH)-B(1OH)	Flavonol	Herbacetin
0.087	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Rhynchosin
0.087	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Melanoxetin
0.087	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Quercetin
0.087	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Morin
0.087	[Flavonol]-A(1OH)-B(3OH)	Flavonol	Robinetin
0.087	[Flavonol]-A(1OH)-B(3OH)	Flavonol	3,7,2',3',4'-Pentahydroxyflavone
0.083	[Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin 3-methyl ether
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Lanceoletin
0.067	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Okanin 4-methyl ether
0.067	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2',4',6'-Tetrahydroxy-3-methoxychalcone
0.059	[Chalcone]-A(2OH)-B(2OH, 1OMe)	Chalcone	3,4,3',4'-Tetrahydroxy-2-methoxychalcone
0.059	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-methoxyflavanone
0.059	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,8,2'-Trihydroxy-7-methoxyflavanone
0.059	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-methoxyflavanone
0.059	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Alysifolinone
0.059	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Homoeriodictyol
0.059	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Hesperetin
0.059	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	8-Methoxybutin
0.059	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	7,2',6'-Trihydroxy-5-methoxyflavanone
0.059	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Scutamoenin
0.059	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	5,2',3'-Trihydroxy-7-methoxyflavanone
0.059	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Eriodictyol 5-methyl ether
0.059	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Sternbin
0.059	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Artocarpanone
0.059	[Flavanone]-A(3OH)-B(1OMe)	Flavanone	4'-O-Methylcarthamidin
0.059	[Flavanone]-A(3OH)-B(1OMe)	Flavanone	5,7,8-Trihydroxy-4'-methoxyflavanone
0.000	[Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavan	5-Methoxyvestitol
0.000	[Isoflavan]-A(2OMe)-B(2OH)	Isoflavan	Lotisoflavan
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Sphaerosin
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-)
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Mucronulatol
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Isomucronulatol
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Methoxyvestitol
0.000	[Dihydrochalcone]-A(1OH, 2OMe)-B(1OH)	Dihydrochalcone	Dihydroflavokawain C
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 2OMe)	Dihydrochalcone	2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 2OMe)	Dihydrochalcone	4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	Lusianin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	Calomelanone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	Dihydropashanone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone
0.000	[Aurone]-A(2OH)-B(3OH)	Aurone	Bracteatin
0.000	[Auronol]-A(1OH)-B(1OH, 1OMe)	Auronol	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone
0.000	[Auronol]-A(1OH, 1OMe)-B(1OH)	Auronol	Carpusin
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(1OH)	Dihydrochalcone	4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OMe)	Dihydrochalcone alpha-ol	Odoratol
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Ceratiolin
0.000	[Flavanone]-A(2OH, 1Methyl)-B(2OH)	Flavanone	5,7,3',5'-Tetrahydroxy-6-methylflavanone
0.000	[Flavanone]-A(2OH, 1Methyl)-B(2OH)	Flavanone	6-C-Methyleriodictylol
0.000	[Flavanone]-A(2OH)-B(2OH, 1Methyl)	Flavanone	5'-C-Methyleriodictylol
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(1OH)	Dihydroflavonol	6-Methylaromadendrin
0.000	[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(none)	Flavan 4-ol	4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	Peltogynan-4-alpha-ol
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	Mopanan-4-alpha-ol
0.000	[Flavan]-A(2OH)-B(2OMe)	Flavan	Diffutidin
0.000	[Flavan]-A(2OMe)-B(2OH)	Flavan	3',4'-Dihydroxy-5,7-dimethoxyflavan
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe)	Pterocarpan-6a-ol	6a,7-Dihydroxymedicarpin
0.000	[[3,2']-Methano-4-phenylchroman (3-OH)]-A(2OH)-B(2OH)	[3,2']-Methano-4-phenylchroman	Haematoxylin