ピーク情報

リーフレタスグリーン

pos

Peak #4216 MN MID: SE198_S12_M90

m/z: 357.06386, RT: 36.55, 強度: 114020, ログ強度: 1.56, 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: (2 names) IAA-94;Indanyloxyacetic acid

DBごとのヒット数: ALL 1 KG 1

FlavonoidSearch最大スコア MS2: 0.045, 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
C17H18O4Cl2	356.05822	-4.570	IAA-94	HMDB: HMDB0253319 KEGG: C13703

MSnスペクトル情報

Level: 2, プリカーサーm/z: 357.06384

Splash: splash10-08fu-0290000000-f8a5427a36c00192acbe

m/z	Int.	NL	Rel.Int.
213.02	45967	144	1000
259.03	30922	98	672
241.01	24235	116	527
175.04	8966	182	195
185.02	7716	172	167
167.04	4923	190	107
231.02	4377	126	95
223.18	3927	134	85
195.11	3827	162	83
157.09	3310	200	71
211.08	2813	146	61

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.045	[Dihydroflavonol]-A(2OH)-B(1OH, 1(C-Prenyl))	Dihydroflavonol	3'-prenylaromadendrin
0.042	[Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavanone	Sigmoidin B
0.042	[Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavanone	2'-Prenyleriodictyol
0.037	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(3OH)	2'-Hydroxychalcone	Ramosismin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	6-Prenyleriodictyol
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	8-Prenyleriodictyol
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavanone	Leachianone G
0.000	[Flavanone]-A(3OH)-B(1OH, 1(C-Prenyl))	Flavanone	Flowerone
0.000	[Flavanone]-A(3OH, 1(C-Prenyl))-B(1OH)	Flavanone	8-Prenylcarthamidin
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Dihydroflavonol	Shuterin
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Dihydroflavonol	8-prenylaromadendrin
0.000	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	Kievitone
0.000	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	Diphysolone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	2'-Hydroxychalcone	Brosimacutin G
0.000	[Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(4-hydroxy-6,6-Dimethyldihydropyrano)))-B(none)	Dihydrochalcone	2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	Dihydrochalcone	2',4',5''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	Dihydrochalcone	alpha,beta-Dihydroxanthohumol
0.000	[Dihydrochalcone]-A(3OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone
0.000	[Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))-B(none)	Flavanone	Tephrowatsin C
0.000	[Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavanone	Tomentosanol D
0.000	[Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Phellodensin D
0.000	[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(2OH)	Flavanone	6-(1,1-Dimethylallyl)eriodictyol
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Kenusanone J
0.000	[Flavone]-A(1OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavone	Brosimacutin F
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavone	Laurifolin (flavonoid)
0.000	[Flavone]-A(2OH, 1(2-Carboxyvinyl))-B(2OH)	Flavone	Demethyltorosaflavone D
0.000	[Flavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone
0.000	[Flavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavone	Ageconyflavone A
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	Kanugin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavonol	Kalmiatin
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Isokanugin
0.000	[Flavan 3-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3-ol	8-Prenylafzelechin 5-methyl ether
0.000	[Flavan 4-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 4-ol	4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan
0.000	[Flavan]-A(2OMe, 1(3-hydroxy-3-methylbutyl))-B(none)	Flavan	Nitenin
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Milldurone
0.000	[Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone
0.000	[Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Petalostetin
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Hemerocallone
0.000	[Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Odoratine
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Iriskumaonin methyl ether
0.000	[Isoflavanone]-A(1OH, 1((Z)-4-hydroxyprenyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-((Z)-4-hydroxyprenyl)isoflavanone
0.000	[Isoflavan]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavan	alpha,alpha-dimethylallylcyclolobin
0.000	[Coumestan]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Coumestan	2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
0.000	[6-Hydroxydehydrorotenone]-A(3OH)-B(none)-C(1(O-Acetyl))	6-Hydroxydehydrorotenone	6,9,10,11-Tetrahydroxydehydrorotenone 6-O-acetate
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy))	4-Hydroxy-3-phenylcoumarin	Derrusnin

Level: 3, プリカーサーm/z: 213.02383

Splash: splash10-00ks-0900000000-a219a135fbea908f5f29

m/z	Int.	NL	Rel.Int.
185.05	6871	28	1000
167.03	6518	46	948
195.03	4243	18	617
157.10	2321	56	337
170.98	1259	42	183
142.95	1188	70	172
183.00	958	30	139
169.08	536	44	77
129.01	522	84	75
197.99	447	15	65
152.98	383	60	55
153.93	358	59	52

Level: 3, プリカーサーm/z: 259.02625

Splash: splash10-03dl-0290000000-868ba6f588a7d4c0e55e

m/z	Int.	NL	Rel.Int.
213.01	6006	46	1000
241.05	5816	18	968
231.14	2150	28	358
185.09	1767	74	294
175.05	614	84	102
157.02	518	102	86
195.10	471	64	78
203.02	415	56	69
223.15	374	36	62
167.08	337	92	56

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Flavan 3-ol]-A(2OH)-B(none)	Flavan 3-ol	Distenin
0.071	[Flavan 3-ol]-A(1OH)-B(1OH)	Flavan 3-ol	Guibourtinidol
0.000	[Isoflavan]-A(1OH)-B(2OH)	Isoflavan	Demethylvestitol
0.000	[Dihydrochalcone]-A(2OH)-B(1OH)	Dihydrochalcone	Davidigenin
0.000	[Dihydrochalcone]-A(3OH)-B(none)	Dihydrochalcone	2',4',6'-Trihydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OH)	Dihydrochalcone	2,4,4'-Trihydroxydihydrochalcone
0.000	[2-Benzyldihydrobenzofuran]-A(1OH)-B(1OH)	2-Benzyldihydrobenzofuran	3,6,4'-Trihydroxy-2-benzyldihydrobenzofuran
0.000	[Flavan]-A(2OH)-B(1OH)	Flavan	Apigeniflavan