ピーク情報
<香辛料類>にんにく おろし
pos
|
Peak #6668 MN MID: SE122_S170761_M90 |
m/z: 325.11291, RT: 105.13, 強度: 10937, ログ強度: 0.29, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 9 |
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: 0.115, MS3: 0.050 |
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 |
---|---|---|---|---|
C12H20O10 | 324.10565 | -0.034 | alpha-D-Fructofuranose-beta-D-fructofuranose 2',1:2,3'-dianhydride | HMDB: HMDB0251271 KEGG: C04420 |
C12H20O10 | 324.10565 | -0.034 | Bis-D-fructose 2',1:2,1'-dianhydride | KEGG: C04333 |
C13H16O6N4 | 324.10698 | -4.161 | Levofuraltadone | HMDB: HMDB0252529 KEGG: C19267 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 325.11246 |
Splash: splash10-014r-0190000000-5251d62c19ef96e31530 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
288.87 | 2019 | 36 | 1000 |
269.15 | 1313 | 56 | 650 |
268.18 | 728 | 57 | 360 |
270.98 | 500 | 54 | 247 |
307.00 | 440 | 18 | 218 |
234.81 | 374 | 90 | 185 |
193.07 | 300 | 132 | 148 |
258.88 | 245 | 66 | 121 |
192.09 | 216 | 133 | 107 |
162.81 | 205 | 162 | 101 |
253.03 | 148 | 72 | 73 |
279.85 | 103 | 45 | 51 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.115 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
0.083 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
0.083 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
0.083 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
0.083 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
0.074 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
0.074 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
0.074 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
0.074 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
0.074 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
0.045 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
0.045 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
0.045 | [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: 288.87387 |
Splash: splash10-002f-0090000000-49b2470a094467c6ab01 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
240.90 | 1117 | 48 | 1000 |
228.84 | 650 | 60 | 582 |
270.97 | 479 | 18 | 428 |
239.92 | 250 | 49 | 223 |
227.89 | 193 | 61 | 173 |
258.33 | 183 | 31 | 163 |
210.98 | 154 | 78 | 137 |
259.04 | 111 | 30 | 99 |
257.50 | 105 | 31 | 93 |
222.95 | 81 | 66 | 72 |
212.98 | 59 | 76 | 52 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.071 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
0.071 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
0.056 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
0.053 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
0.053 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
0.050 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
0.050 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
0.050 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
0.050 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
0.050 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
0.050 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Isocarthamidin |
0.045 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
0.045 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
0.045 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
0.043 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
0.043 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
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 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-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 |
Level: 3, プリカーサーm/z: 269.14847 |
Splash: splash10-03di-0090000000-b08b6f471ed49a859fc9 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
213.03 | 760 | 56 | 1000 |
212.03 | 245 | 57 | 322 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.200 | [Coumestan]-A(1OH)-B(1OH) | Coumestan | Coumestrol |
0.067 | [Flavonol]-A(none)-B(1OMe) | Flavonol | 3-Hydroxy-4'-methoxyflavone |
0.056 | [Isoflavone]-A(1OH)-B(1OMe) | Isoflavone | Formononetin |
0.056 | [Isoflavone]-A(1OH)-B(1OMe) | Isoflavone | Pallidiflorin |
0.056 | [Isoflavone]-A(1OMe)-B(1OH) | Isoflavone | Isoformononetin |
0.056 | [Isoflavone]-A(1OH, 1OMe)-B(none) | Isoflavone | 5-Hydroxy-7-methoxyisoflavone |
0.000 | [Flavone]-A(1OMe)-B(1OH) | Flavone | Isopratol |
0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | Trigraecum |
0.000 | [Flavone]-A(1OH)-B(1OMe) | Flavone | 5-Hydroxy-2'-methoxyflavone |
0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | 5-Hydroxy-6-methoxyflavone |
0.000 | [Flavone]-A(1OH)-B(1OMe) | Flavone | 6-Hydroxy-4'-methoxyflavone |
0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | Tectochrysin |
0.000 | [Aurone]-A(1OH, 1Methyl)-B(1OH) | Aurone | 6,4'-Dihydroxy-7-methylaurone |
0.000 | [Flavanone]-A(1OH, 2Methyl)-B(none) | Flavanone | 7-Hydroxy-6,8-di-C-methylflavanone |
0.000 | [Flavone]-A(2OH, 1Methyl)-B(none) | Flavone | Strobochrysin |
0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(none) | 4-phenylcoumarin | Dalbergin |
0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(none) | 4-phenylcoumarin | Isodalbergin |