ピーク情報

タバコBY-2細胞　3日目

pos

Peak #872 MN MID: SE204_S03_M90

m/z: 325.11262, RT: 11.93, 強度: 759755, ログ強度: 2.49, 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）: 25

DB検索結果: (3 names) Difructose anhydride III;Bis-D-fructose 2',1:2,1'-dianhydride;Difructose anhydride I

DBごとのヒット数: ALL 2 KG 2

FlavonoidSearch最大スコア MS2: 0.087, MS3: 0.115

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	-0.921	alpha-D-Fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride	HMDB: HMDB0251271 KEGG: C04420
C12H20O10	324.10565	-0.921	Bis-D-fructose 2',1:2,1'-dianhydride	KEGG: C04333

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.11255

Splash: splash10-000i-0290000000-af162be83811b74e98a6

m/z	Int.	NL	Rel.Int.
288.73	121798	36	1000
270.93	32937	54	270
162.93	20990	162	172
144.97	13876	180	113
258.85	13219	66	108
126.85	10836	198	88
252.92	9739	72	79
306.98	8450	18	69

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.087	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.048	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.048	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.048	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.048	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.042	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.042	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.042	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.042	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.042	[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: 271.02417

Splash: splash10-0006-1590000000-9c4d1c1ebbeda9e2ce89

m/z	Int.	NL	Rel.Int.
241.01	2543	30	1000
253.09	2016	18	792
193.04	1360	78	534
234.99	1357	36	533
126.93	1096	144	431
144.89	767	126	301
180.89	400	90	157
98.93	345	172	135
207.02	319	64	125
96.71	312	174	122
194.96	236	76	92
217.24	231	54	90
134.78	228	136	89
151.10	220	120	86
212.84	217	58	85
169.01	211	102	82
210.79	197	60	77
81.28	148	190	58
224.85	138	46	54
184.90	137	86	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.152	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.121	[Flavonol]-A(2OH)-B(none)	Flavonol	Galangin
0.103	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.103	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.103	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.103	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.103	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
0.074	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Flemichapparin
0.074	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Larrein
0.074	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Cardamonin
0.074	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-4'-methoxychalcone
0.069	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	7-Hydroxy-8-methoxyflavanone
0.069	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Alpinetin
0.069	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Pinostrobin
0.067	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.067	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	2'-Hydroxydaidzein
0.036	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
0.036	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin 4'-methyl ether
0.036	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4-methyl ether
0.036	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4-methoxychalcone
0.033	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.033	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.033	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
0.033	[Flavone]-A(3OH)-B(none)	Flavone	Baicalein
0.033	[Flavone]-A(3OH)-B(none)	Flavone	Norwogonin
0.033	[Flavone]-A(1OH)-B(2OH)	Flavone	7,3',4'-Trihydroxyflavone
0.033	[Flavone]-A(1OH)-B(2OH)	Flavone	5,2',5'-Trihydroxyflavone
0.033	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.033	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.033	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
0.033	[Flavanone]-A(1OH)-B(1OMe)	Flavanone	4'-Methylliquiritigenin
0.033	[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: 288.84183

Splash: splash10-0fk9-0390000000-9b2de39485e1820f34a2

m/z	Int.	NL	Rel.Int.
252.88	1295	36	1000
271.03	1106	18	854
126.81	382	162	295
222.81	357	66	275
211.10	309	78	238
181.04	290	108	224
162.75	189	126	146
229.00	147	60	113
243.02	130	46	100
96.78	122	192	94
134.83	117	154	90
145.08	116	144	89
147.12	106	142	82
136.73	104	152	80
106.88	95	182	73
92.98	89	196	68
201.21	84	88	64
164.98	78	124	60
235.01	75	54	57

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.185	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.185	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.148	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.148	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.115	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.115	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.115	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.115	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.107	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.080	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.077	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.077	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.048	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.045	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.045	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.036	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.036	[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

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
	11.91	363.06879	37.9562	1.01	[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				18
	11.92	342.13939	17.0268	1.65	[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 MS3 x 2		0.087	17
872	11.93	325.11262	0.0000	2.49	[M+H]+, [M-H2O+H]+	(3 names) Difructose anhydride III; Bis-D-fructose 2',1:2,1'-dianhydride; Difructose anhydride I	ALL 2 KG 2	MS2 MS3 x 2	0.087	0.115	25
	11.92	307.10237	-18.0103	0.53	[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				15
	11.93	289.09182	-36.0208	0.98	[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	MS2	0.125		18
	11.96	271.08124	-54.0314	0.08	[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				13

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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