ピーク情報
<調味料類>(ウスターソース類) ウスターソース
pos
|
Peak #1839 MN MID: SE120_S170011_M90 |
m/z: 355.10264, RT: 37.03, 強度: 12122, ログ強度: 0.40, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 58 |
DB検索結果: (9 names) Scopolin;1-Caffeoylquinic acid;Magnolioside;Cryptochlorogenic acid;7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone;Chlorogenic acid;Biflorin;Isobiflorin;Chrysolandol |
DBごとのヒット数: ALL 9 KG 3 KN 6 |
FlavonoidSearch最大スコア MS2: 0.111, MS3: 0.154 |
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 |
---|---|---|---|---|
C16H18O9 | 354.09508 | 0.792 | Scopolin | HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500 |
C16H18O9 | 354.09508 | 0.792 | 1-(3,4-Dihydroxycinnamoyl)quinic acid | HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231 |
C16H18O9 | 354.09508 | 0.792 | Magnolioside | KNApSAcK: C00053451 |
C16H18O9 | 354.09508 | 0.792 | trans-4-Caffeoylquinic acid | HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843 |
C16H18O9 | 354.09508 | 0.792 | 7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone | KNApSAcK: C00055698 |
C16H18O9 | 354.09508 | 0.792 | Chlorogenate | HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767 |
C16H18O9 | 354.09508 | 0.792 | Isobiflorin | HMDB: HMDB0040632 KNApSAcK: C00030518 |
C16H18O9 | 354.09508 | 0.792 | Biflorin | HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417 |
C16H18O9 | 354.09508 | 0.792 | Chrysolandol | KNApSAcK: C00015105 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 355.10226 |
Splash: splash10-000i-0497000000-31d0e902bebd7ee00582 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
163.00 | 22048 | 192 | 1000 |
337.10 | 21687 | 18 | 983 |
289.11 | 18752 | 66 | 850 |
259.06 | 11664 | 96 | 529 |
235.01 | 11403 | 120 | 517 |
301.07 | 7505 | 54 | 340 |
319.12 | 5958 | 36 | 270 |
144.93 | 1169 | 210 | 53 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.111 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydroflavonol | Leaserone |
0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol |
0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthogalenol |
0.095 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | 5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone |
0.095 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Isoxanthohumol(Sophora) |
0.095 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Mundulea flavanone B |
0.091 | [Chalcone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Chalcone | Licoagrochalcone C |
0.067 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
0.059 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sigmoidin C |
0.059 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sanggenon F |
0.059 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sanggenon H |
0.059 | [Isoflavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Licoisoflavanone |
0.059 | [Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavanone | Cyclokievitone |
0.045 | [Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Agrandol |
0.045 | [Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Microfolione |
0.045 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone |
0.043 | [Flavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavone | 8-C-Prenylluteolin |
0.043 | [Flavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavone | 6-C-Prenylluteolin |
0.043 | [Flavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavone | Artocarpesin |
0.043 | [Chalcone]-A(1OH, 1(C-Prenyl))-B(2OH, 1OMe) | Chalcone | Licochalcone D |
0.042 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavone | 5,7,3',4'-Tetrahydroxy-6-prenylisoflavone |
0.042 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavone | Gancaonin L |
0.042 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavone | Luteone (isoflavone) |
0.042 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitone |
0.042 | [Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl)) | Isoflavone | Licoisoflavone A |
0.034 | [Flavonol]-A(3OH, 1(C-Prenyl))-B(none) | Flavonol | Platanetin |
0.033 | [Flavonol]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavonol | Isolicoflavonol |
0.033 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavonol | 6-Prenylkaempferol |
0.033 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavonol | Noranhydroicaritin |
0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 1-Methoxyphaseollidin |
0.000 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Pterocarpan | Edudiol |
0.000 | [2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 2-Benzyl-2-hydroxydihydrobenzofuran | Castillene C |
0.000 | [Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano))) | Chalcone | Licoagrochalcone D |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol D |
0.000 | [2'-Hydroxychalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol H |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Helichromanochalcone |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | 2'-Methoxyhelikrausichalcone |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH) | 2'-Hydroxychalcone | 3',4'-Dihydrooxepino-6'-hydroxybutein |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Isodehydrocycloxanthohumol hydrate |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone |
0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydrochalcone | Flemistrictin D |
0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone beta-ol | Ponganone IX |
0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | Tephroleocarpin A |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methyl-6-prenylflavanone |
0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavanone | Velloeriodictyol |
0.000 | [Flavanone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavanone | 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone |
0.000 | [Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavone | Dinklagin C |
0.000 | [Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavone | Ephedroidin |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavone | Dinklagin B |
0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH) | 3-substituted Flavone | Albanin A |
0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Dihydroflavonol | Shuterol |
0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone |
0.000 | [Dihydroflavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Dihydroflavonol | 3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone |
0.000 | [Flavan 3-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavan 3-ol | 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan |
0.000 | [Flavan 4-ol]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan 4-ol | Tephrowatsin A |
0.000 | [Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 3,4-diol | Quercetol A |
0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(2OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranocyanidin |
0.000 | [Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH) | Isoflavone | Hydroxywighteone |
0.000 | [Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH) | Isoflavone | Gancaonin C |
0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Isoflavone | Erythrinin C |
0.000 | [Isoflavone]-A(2OH)-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone C |
0.000 | [Isoflavone]-A(2OH)-B(2OH, 1(1,1-Dimethylallyl)) | Isoflavone | Fremontin |
0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OH, 1OMe, 1([@@]-Methylenedioxy)) | Isoflavanone | Erosenone |
0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe) | Isoflavanone | Nepseudin |
0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe) | Isoflavanone | Ambonone |
0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe) | Isoflavan | 3'-Methoxyglabridin |
0.000 | [Isoflavan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Neorauflavane |
0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Pterocarpan-6a-ol | Cristacarpin |
0.000 | [Pterocarpan-6a-ol]-A(1OMe, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceollin IV |
0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH) | Pterocarpan-6a-ol | Glyceofuran |
0.000 | [Rotenoid 12-ol]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenoid 12-ol | Elliptinol |
0.000 | [3-Hydroxy-2-phenylbenzofuran (3-OMe)]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe) | 3-Hydroxy-2-phenylbenzofuran | Ambofuranol |
0.000 | [2-Phenylbenzofuran]-A(2OMe, 1(C-Prenyl))-B(2OH) | 2-Phenylbenzofuran | Gancaonin I |
Level: 3, プリカーサーm/z: 337.10449 |
Splash: splash10-0a4r-0093000000-fdd9f92880de861904a0 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
259.04 | 6952 | 78 | 1000 |
289.06 | 4247 | 48 | 610 |
319.08 | 2169 | 18 | 311 |
301.13 | 2009 | 36 | 289 |
205.06 | 450 | 132 | 64 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.154 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Oaxacacin |
0.154 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Pongachalcone I |
0.154 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Cedreprenone |
0.071 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | 4-Methoxylonchocarpin |
0.067 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Ovalichromene |
0.067 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin methyl ether |
0.067 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Dorspoinsettifolin |
0.063 | [Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo C |
0.063 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Atalantoflavone |
0.063 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Carpachromene |
0.063 | [Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Chalcone | Licoagrochalcone B |
0.059 | [Isoflavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isoderrone |
0.059 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Glabrone |
0.059 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Puerarone |
0.059 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Alpinumisoflavone |
0.059 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Derrone |
0.038 | [Isoflavone]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Isoflavone | 4'-O-Methylneobavaisoflavone |
0.000 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Psoralidin |
0.000 | [Coumestan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Coumestan | Isosojagol |
0.000 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Phaseol |
0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Hemileiocarpin |
0.000 | [2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 2-(alpha-oxobenzyl)benzofuran | Derriobtusone B |
0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | 2'-Hydroxychalcone | Crassichalcone |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 6'-Demethoxypraecansone B |
0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-Methylbutadienyl))-B(none) | Flavanone | Tephroleocarpin B |
0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavanone | Emoroidenone |
0.000 | [Flavone]-A(1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | Lanceolatin A(flavonoid) |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavone | Ciliatin A |
0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | Pongapin |
0.000 | [Flav-3-ene]-A(2OMe, 1(C-Prenyl))-B(none) | Flav-3-ene | Tephrowatsin B |
0.000 | [Isoflavone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dehydroneotenone |
0.000 | [Isoflavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Isoflavone | Garhwalin |
0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH) | Pterocarpan-6a-ol | Clandestacarpin |
0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Coumestan | Sojagol |
0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Coumestan | Isopsoralidin |
0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Rotenone | Dolineone |
0.000 | [3-Phenylcoumarin]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | Pachyrrhizin |