ピーク情報

イネ　玄米　コシヒカリ

pos

Peak #838 MN MID: SE199_S11_M90

m/z: 325.11272, RT: 13.06, 強度: 953057, ログ強度: 0.00, アダクト: [M+H]+, [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 11

DB検索結果: (4 names) Difructose anhydride III;Bis-D-fructose 2',1:2,1'-dianhydride;Difructose anhydride I;Furaltadone

DBごとのヒット数: ALL 3 KG 3

FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.125

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
C12H20O10	324.10565	-0.642	alpha-D-Fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride	HMDB: HMDB0251271 KEGG: C04420
C12H20O10	324.10565	-0.642	Bis-D-fructose 2',1:2,1'-dianhydride	KEGG: C04333
C13H16O6N4	324.10698	-4.768	Levofuraltadone	HMDB: HMDB0252529 KEGG: C19267

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.11240

Splash: splash10-000i-0290000000-56d7a16ce05bc1508637

m/z	Int.	NL	Rel.Int.
288.88	194634	36	1000
270.97	64622	54	332
162.97	50972	162	261
144.88	37741	180	193
258.86	29651	66	152
288.06	29557	37	151
126.91	25757	198	132
253.01	21808	72	112
307.15	15919	18	81
246.97	9879	78	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.080	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.043	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.043	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.043	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.038	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.038	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.038	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.038	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.038	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol

Level: 3, プリカーサーm/z: 270.94543

Splash: splash10-0f6x-1390000000-78a6698bea2cf48dd962

m/z	Int.	NL	Rel.Int.
241.20	1364	30	1000
253.08	1092	18	800
126.99	420	144	307
235.07	258	36	188
145.05	225	126	164
193.02	223	78	163
99.07	219	172	160
97.10	192	174	140
207.09	174	64	127
205.08	127	66	92
181.16	120	90	87
190.92	96	80	70
108.99	80	162	58
223.25	79	48	58
211.12	77	60	56
189.08	74	82	54
85.13	71	186	51
177.00	69	94	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.111	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.111	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.111	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.111	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
0.094	[Flavonol]-A(2OH)-B(none)	Flavonol	Galangin
0.091	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.080	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Flemichapparin
0.080	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Larrein
0.080	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Cardamonin
0.080	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-4'-methoxychalcone
0.074	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	7-Hydroxy-8-methoxyflavanone
0.074	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Alpinetin
0.074	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Pinostrobin
0.071	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.071	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	2'-Hydroxydaidzein
0.038	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
0.038	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin 4'-methyl ether
0.038	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4-methyl ether
0.038	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4-methoxychalcone
0.036	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.036	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.036	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
0.036	[Flavone]-A(3OH)-B(none)	Flavone	Baicalein
0.036	[Flavone]-A(3OH)-B(none)	Flavone	Norwogonin
0.036	[Flavone]-A(1OH)-B(2OH)	Flavone	7,3',4'-Trihydroxyflavone
0.036	[Flavone]-A(1OH)-B(2OH)	Flavone	5,2',5'-Trihydroxyflavone
0.036	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.036	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.036	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
0.036	[Flavanone]-A(1OH)-B(1OMe)	Flavanone	4'-Methylliquiritigenin
0.036	[Flavanone]-A(1OMe)-B(1OH)	Flavanone	Methyl-liquiritigenin
0.000	[Pterocarpan]-A(1OH)-B(1OMe)	Pterocarpan	Medicarpin
0.000	[Pterocarpan]-A(1OMe)-B(1OH)	Pterocarpan	Isomedicarpin
0.000	[Aurone]-A(1OH)-B(2OH)	Aurone	Sulfuretin
0.000	[Aurone]-A(2OH)-B(1OH)	Aurone	4,6,4'-Trihydroxyaurone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Methyllucidone
0.000	[UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none)	UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone	4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
0.000	[Flavanone]-A(2OH, 1Methyl)-B(none)	Flavanone	Strobopinin
0.000	[Flavanone]-A(2OH, 1Methyl)-B(none)	Flavanone	Cryptostrobin
0.000	[Flavan]-A(1OMe, 1Methyl)-B(1OH)	Flavan	4'-Hydroxy-7-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH)-B(1([@@]-Methylenedioxy))	Flavan	7-Hydroxy-3',4'-methylenedioxyflavan
0.000	[Flavan]-A(2OMe)-B(none)	Flavan	Tephrowatsin E
0.000	[Flavan]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavan	7-Hydroxy-5-methoxy-6-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH)	3-DehydroxyAnthocyanidin	Luteolinidin
0.000	[isoflavene]-A(1OH)-B(1OH, 1OMe)	isoflavene	Haginin B
0.000	[2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe)	2-Phenylbenzofuran	Vignafuran
0.000	[2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH)	2-Phenylbenzofuran	2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(none)	Dalbergiquinol	5-Hydroxy-2,4-dimethoxydalbergiquinol
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4'-Hydroxy-4-methoxydalbergione

Level: 3, プリカーサーm/z: 288.84119

Splash: splash10-0fk9-0290000000-7334ee24cbee88944408

m/z	Int.	NL	Rel.Int.
271.12	614	18	1000
253.15	387	36	631
144.95	111	144	180
163.00	105	126	171
127.02	102	162	166
206.85	72	82	117
261.09	66	28	107
241.04	53	48	86
235.22	52	54	84
116.80	46	172	74
223.12	43	66	70
229.04	42	60	68
195.10	36	94	58
192.93	35	96	56
211.16	33	78	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.125	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.125	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.120	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.120	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.091	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.091	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.087	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.087	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.087	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.087	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.059	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.056	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.056	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.045	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.042	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.042	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1OMe)	Dihydrochalcone	Loureirin D
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	Asebogenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone	Dihydrocalythropsin
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1OMe)	Dihydrochalcone	4,2',4'-Trihydroxy-3-methoxydihydrochalcone
0.000	[Auronol]-A(1OH)-B(2OH)	Auronol	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
0.000	[Auronol]-A(2OH)-B(1OH)	Auronol	Maesopsin
0.000	[alpha-Hydroxychalcone]-A(2OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',4',alpha-Pentahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone alpha-ol	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe)	Dihydrochalcone alpha-ol	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(1OH)	2-Hydroxyflavanone	2,5,7,4'-Tetrahydroxyflavanone
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	Cyanomaclurin
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
0.000	[Flavan]-A(1OH)-B(2OH, 1OMe)	Flavan	7,3',5'-Trihydroxy-4'-methoxyflavan

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
	13.04	388.18127	63.0686	0.00	[M+C2H7N+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4	MS2			10
	13.04	384.15008	59.0374	-0.12	[M+ACN+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				16
	13.06	381.07931	55.9666	0.00	[M+K]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4	MS2 MS3			19
	13.06	374.16568	49.0530	-0.25	[M+CH3OH-H2O+NH4]+, [M+CH5N+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				3
	13.04	363.06883	37.9561	0.00	[M+K]+, [M-H2O+K]+	(4 names) Difructose anhydride III; Bis-D-fructose 2',1:2,1'-dianhydride; Difructose anhydride I; Furaltadone	ALL 3 KG 3				11
	13.04	360.14975	35.0370	-0.44	[M+NH4]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4	MS2 MS3 x 2		0.077	18
	13.03	343.12341	18.0107	0.99	[M+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				10
	13.07	342.13944	17.0267	0.00	[M+NH4]+, [M-H2O+NH4]+	(4 names) Difructose anhydride III; Bis-D-fructose 2',1:2,1'-dianhydride; Difructose anhydride I; Furaltadone	ALL 3 KG 3	MS2			21
838	13.06	325.11272	0.0000	0.00	[M+H]+, [M-H2O+H]+	(4 names) Difructose anhydride III; Bis-D-fructose 2',1:2,1'-dianhydride; Difructose anhydride I; Furaltadone	ALL 3 KG 3	MS2 MS3 x 2	0.091	0.125	11
	13.10	307.10234	-18.0104	0.33	[M-2(H2O)+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				10
	13.06	289.09180	-36.0209	0.00	[M-3(H2O)+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				11
	13.06	271.08118	-54.0315	-0.57	[M-4(H2O)+H]+	(25 names) Lactulose; Sakebiose; Nigerose; Inulobiose; Trehalose; Turanose; Gentiobiose; Isomaltulose; Sakebiose; Lactose; Melibiose; Sophorose; Trehalulose; Kojibiose; Sucrose; Maltulose; 4-O-alpha-D-Glucopyranosyl-D-fructose; ...	ALL 23 KG 15 KN 4 HM 4				8