ピーク情報

（くり類）日本ぐり生

pos

Peak #3983 MN MID: SE123_S050101_M90

m/z: 367.21146, RT: 51.00, 強度: 2954, ログ強度: 0.05, 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: (53 names) Sporotrichiol;Hymenoratin B;Cornutin C;(-)-Cornutin C;Pachyclavulariolide R;(-)-Pachyclavulariolide R;Zambesiacolactone B;(+)-Zambesiacolactone B;Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate...

DBごとのヒット数: ALL 40 KG 3 KN 27 HM 3 LM 7

FlavonoidSearch最大スコア MS2: 0.087, MS3: 0.130

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
C20H30O6	366.20424	-0.161	Sporotrichiol	HMDB: HMDB0037062 KNApSAcK: C00012650
C20H30O6	366.20424	-0.161	Hymenoratin B	KNApSAcK: C00021030
C20H30O6	366.20424	-0.161	Cornutin C	KNApSAcK: C00036097
C20H30O6	366.20424	-0.161	Pachyclavulariolide R	KNApSAcK: C00044994
C20H30O6	366.20424	-0.161	Zambesiacolactone B	KNApSAcK: C00034921
C20H30O6	366.20424	-0.161	Bis(2-butoxyethyl)phthalate	KEGG: C15438
C20H30O6	366.20424	-0.161	Ingol	KNApSAcK: C00050840 LipidMAPS: LMPR0104310002
C20H30O6	366.20424	-0.161	12-oxo-10,11-dihydro-20-COOH-LTB4	HMDB: HMDB0012549 LipidMAPS: LMFA03020046
C20H30O6	366.20424	-0.161	Spirocardin A	KNApSAcK: C00017551
C20H30O6	366.20424	-0.161	Coetsanoic acid	KNApSAcK: C00042404
C20H30O6	366.20424	-0.161	5S,12R,18S,20-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid	LipidMAPS: LMFA03140008
C20H30O6	366.20424	-0.161	Leopersin H	KNApSAcK: C00050375
C20H30O6	366.20424	-0.161	Maoecrystal K	KNApSAcK: C00051470
C20H30O6	366.20424	-0.161	Sculponin K	KNApSAcK: C00048113
C20H30O6	366.20424	-0.161	9,10-seco-9-carboxy-11,11,15S-trihydroxy-5Z,8(12),13E-prostatrienoic acid 9,11-lactone	LipidMAPS: LMFA03100037
C20H30O6	366.20424	-0.161	9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E,17Z-trienoic acid	LipidMAPS: LMFA03030009
C20H30O6	366.20424	-0.161	Sinularolide A	KNApSAcK: C00043001
C20H30O6	366.20424	-0.161	Leucasdin B	KNApSAcK: C00030653
C20H30O6	366.20424	-0.161	Gibberellin A42	KNApSAcK: C00000042
C20H30O6	366.20424	-0.161	12-oxo-20-dihydroxy-leukotriene B4	HMDB: HMDB0012551 LipidMAPS: LMFA03020048
C20H30O6	366.20424	-0.161	Taxicin I	KNApSAcK: C00056162
C20H30O6	366.20424	-0.161	Enmenol	KNApSAcK: C00031761
C20H30O6	366.20424	-0.161	Rhodomollein XX	KNApSAcK: C00042918
C20H30O6	366.20424	-0.161	Phlebiakauranol aldehyde	KNApSAcK: C00017856
C20H30O6	366.20424	-0.161	Pachyclavulariaenone G	KNApSAcK: C00046266
C20H30O6	366.20424	-0.161	Anhydrocinnzeylanine	HMDB: HMDB0036863 KNApSAcK: C00036727
C20H30O6	366.20424	-0.161	Nervosanin B	KNApSAcK: C00048018
C20H30O6	366.20424	-0.161	Zinangustolide	KNApSAcK: C00012399
C20H30O6	366.20424	-0.161	5S,12R,18S,19-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid	LipidMAPS: LMFA03140005
C20H30O6	366.20424	-0.161	Ineupatorolide A	KNApSAcK: C00012341
C20H30O6	366.20424	-0.161	Sinulariolone	KNApSAcK: C00040317
C20H30O6	366.20424	-0.161	7-Oxoprostaglandin I2	HMDB: HMDB0247284
C20H30O6	366.20424	-0.161	Diaporthein A	KNApSAcK: C00041496
C20H30O6	366.20424	-0.161	Gibberellin A83	KNApSAcK: C00000083
C20H30O6	366.20424	-0.161		LipidMAPS: LMPR01040141
C20H30O6	366.20424	-0.161	Chaparrolide	KEGG: C08758 KNApSAcK: C00003708
C20H30O6	366.20424	-0.161	Sibiricinone A	KNApSAcK: C00043917
C20H30O6	366.20424	-0.161	20-COOH-Leukotriene B4	HMDB: HMDB0006059, HMDB0245560 KEGG: C05950 LipidMAPS: LMFA03020016
C21H26O2N4	366.20558	-3.813	N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide	HMDB: HMDB0259641
C21H26O2N4	366.20558	-3.813	Linaprazan	HMDB: HMDB0254096

MSnスペクトル情報

Level: 2, プリカーサーm/z: 367.21066

Splash: splash10-0002-0019000000-220b9985f74bfe5c7fe2

m/z	Int.	NL	Rel.Int.
349.19	3100	18	1000
307.16	909	60	293
313.13	854	54	275
331.21	700	36	225
285.15	396	82	127
267.12	291	100	94
301.13	268	66	86

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.087	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Barpisoflavone C
0.087	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	3'-Hydroxyalpinumisoflavone 4'-methyl ether
0.063	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	Glychalcone A
0.063	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
0.063	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	3,4-Dimethoxylonchocarpin
0.059	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone III
0.059	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Glyflavanone A
0.048	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavonol	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Coumestan	Mirificoumestan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	Puerarostan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
0.000	[Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Coumestan	Glycyrol
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	Racemoflavone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Edulenane
0.000	[2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol C
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Praecansone B
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	O-Methylovaliflavanone C
0.000	[Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	cis-Tephrostachin
0.000	[Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	trans-Tephrostachin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH)	Flavone	Desmodol
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3'-Methoxypongapin
0.000	[Flavonol]-A(2OH, 1Sulfate)-B(1OH)	Flavonol	Kaempferol 8-C-sulfate
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3-methyl ether
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Derrubone
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautenanol
0.000	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isoglycyrol
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Pachyrrhizone
0.000	[12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Methoxydolineone
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Neofolin

Level: 3, プリカーサーm/z: 349.19122

Splash: splash10-001i-0049000000-28f41c8af9d0757039d0

m/z	Int.	NL	Rel.Int.
331.27	774	18	1000
285.27	241	64	310
305.30	198	44	256
267.26	171	82	220
313.19	167	36	215
303.30	157	46	203
195.11	123	154	158
287.13	71	62	91
301.16	60	48	77
239.20	44	110	57
295.42	42	54	54
261.10	42	88	54

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.188	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.130	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.083	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.083	[Flavonol]-A(4OH)-B(1OH, 1OMe)	Flavonol	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone
0.067	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
0.067	[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
0.063	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.059	[Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Tuberostan
0.000	[Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol C
0.000	[Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
0.000	[Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none)	Flavone	trans-Anhydrotephrostachin
0.000	[Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
0.000	[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Dryopteric acid
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Calopogoniumisoflavone B
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin E

Level: 3, プリカーサーm/z: 307.15790

Splash: splash10-0w29-0290000000-f59b3d8165fb1b3caf55

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.045	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.045	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
0.000	[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
0.000	[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

m/z	Int.	NL	Rel.Int.
204.06	247	103	1000
261.17	187	46	757
178.03	84	129	339
232.21	54	75	218
171.04	29	136	118
263.41	26	44	103
143.95	25	163	100
278.10	24	29	95
145.23	15	162	60
146.06	15	161	60