ピーク情報
|
通導散（エキス顆粒）
pos
|
| Peak #45 MN MID: SE225_S178_M90 |
| m/z: 353.19238, RT: 3.05, 強度: 79, ログ強度: -0.75, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 62 |
| DB検索結果: (94 names) Diptocarpidine;Dipthycarpidine;(-)-Diptocarpidine;Almokalant;(R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol;Desacetyltetraneurin D 15-O-isobutyrate;Tagitinin D;Tirotundin;1... |
| DBごとのヒット数: ALL 62 KG 12 KN 46 HM 3 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
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 |
|---|---|---|---|---|
| C15H32O3N2S2 | 352.18543 | -0.931 | Diptocarpidine | KNApSAcK: C00025538 |
| C18H28O3N2S | 352.18206 | 8.641 | Almokalant | HMDB: HMDB0248171 |
| C18H28O3N2S | 352.18206 | 8.641 | (R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol | HMDB: HMDB0245575 |
| C19H28O6 | 352.18859 | -9.886 | Desacetyltetraneurin D 15-O-isobutyrate | KNApSAcK: C00021161 |
| C19H28O6 | 352.18859 | -9.886 | Tagitinin D | KNApSAcK: C00011887 |
| C19H28O6 | 352.18859 | -9.886 | 13beta,14-Diacetoxy-9(12)-capnellene-8beta,10alpha-diol | KNApSAcK: C00021787 |
| C19H28O6 | 352.18859 | -9.886 | Pulicanadiene A | KNApSAcK: C00042881 |
| C19H28O6 | 352.18859 | -9.886 | Atlanticol | KNApSAcK: C00040887 |
| C19H28O6 | 352.18859 | -9.886 | 2beta,5alpha-Diacetoxy-9(12)-capnellene-8beta,10alpha-diol | KNApSAcK: C00021783 |
| C19H28O6 | 352.18859 | -9.886 | 8-Hydroxy-9-isobutyryloxy-10(2)-methylbutyrylthymol | KNApSAcK: C00045594 |
| C19H28O6 | 352.18859 | -9.886 | Desacetyltetraneurin D 4-O-isobutyrate | KNApSAcK: C00021162 |
| C19H28O6 | 352.18859 | -9.886 | Leptin F | HMDB: HMDB0254016 KNApSAcK: C00049200 |
| C19H28O6 | 352.18859 | -9.886 | 6,10-Bis(acetoxymethyl)-12-hydroxy-2-methyl-2,6,10-dodecatrienal | KNApSAcK: C00011377 |
| C19H28O6 | 352.18859 | -9.886 | 2,3-Dimethoxy-5-methyl-6-(9'-carboxynonyl)-1,4-benzoquinone | HMDB: HMDB0258087 |
| C19H28O6 | 352.18859 | -9.886 | Diacetoxy-[4]-gingerdiol | HMDB: HMDB0039132 KNApSAcK: C00035577 |
| C19H28O6 | 352.18859 | -9.886 | Pulicanaral A | KNApSAcK: C00042885 |
| C19H28O6 | 352.18859 | -9.886 | 2-O-n-Butyrylpseudomajucin | KNApSAcK: C00036504 |
| C19H28O6 | 352.18859 | -9.886 | Penicilazaphilone B | KNApSAcK: C00053647 |
| C20H29O3Cl | 352.18052 | 13.016 | Eiseniachloride C | KNApSAcK: C00044736 LipidMAPS: LMFA03120061 |
| C20H29O3Cl | 352.18052 | 13.016 | 14R,15S-epoxy,18S-chloro-5Z,8Z,11Z-prostatrienoic acid cyclo-[13S,17R] | LipidMAPS: LMFA03120054 |
| C20H29O3Cl | 352.18052 | 13.016 | 9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one | KEGG: C15400 |
| C21H24O3N2 | 352.17869 | 18.213 | 11-Methoxyakuammicine | KNApSAcK: C00027078 |
| C21H24O3N2 | 352.17869 | 18.213 | Vincoridine | KNApSAcK: C00027094 |
| C21H24O3N2 | 352.17869 | 18.213 | Jasminiflorine | KNApSAcK: C00024539 |
| C21H24O3N2 | 352.17869 | 18.213 | (-)-Isoschizogamine | KNApSAcK: C00025049 |
| C21H24O3N2 | 352.17869 | 18.213 | 3-Oxovincadifformine | KNApSAcK: C00024510 |
| C21H24O3N2 | 352.17869 | 18.213 | Lundurine B | KNApSAcK: C00024573 |
| C21H24O3N2 | 352.17869 | 18.213 | (+)-Vincarine | HMDB: HMDB0030389, HMDB0030390 KNApSAcK: C00024281, C00024329 |
| C21H24O3N2 | 352.17869 | 18.213 | 11-Methoxystrictamine | KNApSAcK: C00027074 |
| C21H24O3N2 | 352.17869 | 18.213 | Acetylcupreine | KNApSAcK: C00052176 |
| C21H24O3N2 | 352.17869 | 18.213 | 3,4-Dehydro-beta-yohimbine | KNApSAcK: [1]C00025744 |
| C21H24O3N2 | 352.17869 | 18.213 | (3R)-3-Hydroxy-1,2-didehydro-2,3-dihydrotabersonine | KEGG: C21683 |
| C21H24O3N2 | 352.17869 | 18.213 | Raucaffrinoline | KEGG: C19931 KNApSAcK: C00024282, C00024301 |
| C21H24O3N2 | 352.17869 | 18.213 | 19,20-Didehydroervatamine | KNApSAcK: C00038183 |
| C21H24O3N2 | 352.17869 | 18.213 | 3-Oxocoronaridine | KNApSAcK: C00025148 |
| C21H24O3N2 | 352.17869 | 18.213 | N1-Demethylalstophylline | KNApSAcK: C00026673 |
| C21H24O3N2 | 352.17869 | 18.213 | Vobasine | KEGG: C09253 KNApSAcK: C00001786 |
| C21H24O3N2 | 352.17869 | 18.213 | Ajmalicine | HMDB: HMDB0248072 KEGG: C11682, C11683, C09024 KNApSAcK: C00001678, C00025137, C00025138, C00025145, C00025146, C00025202, C00025214, C00049103 |
| C21H24O3N2 | 352.17869 | 18.213 | 19,20-Dehydro-alpha-yohimbine | KNApSAcK: C00025725 |
| C21H24O3N2 | 352.17869 | 18.213 | 19beta-Hydroxyvenalstonine | KNApSAcK: C00024495 |
| C21H24O3N2 | 352.17869 | 18.213 | (19E)-Geissoschizine | KEGG: C02151 KNApSAcK: C00051968 |
| C21H24O3N2 | 352.17869 | 18.213 | Rhazimol | KEGG: C22950 KNApSAcK: C00027696, C00028132 |
| C21H24O3N2 | 352.17869 | 18.213 | (+)-14,15-Dehydro-16-epivincamine | KNApSAcK: C00025059 |
| C21H24O3N2 | 352.17869 | 18.213 | Tabersonine N-oxide | KNApSAcK: C00024605 |
| C21H24O3N2 | 352.17869 | 18.213 | Lochnericine | KEGG: C11676 KNApSAcK: C00024457, C00024587 |
| C21H24O3N2 | 352.17869 | 18.213 | 6-Oxocoronaridine | KNApSAcK: C00025757 |
| C21H24O3N2 | 352.17869 | 18.213 | Preaquamycin | KNApSAcK: C00051792 |
| C21H24O3N2 | 352.17869 | 18.213 | Kopsinilam | KNApSAcK: C00024558 |
| C21H24O3N2 | 352.17869 | 18.213 | Vindolinine N-oxide | KNApSAcK: C00024614 |
| C21H24O3N2 | 352.17869 | 18.213 | Pandine | KNApSAcK: C00025415 |
| C21H24O3N2 | 352.17869 | 18.213 | (-)-Venalstonidine | KNApSAcK: C00024461 |
| C21H24O3N2 | 352.17869 | 18.213 | Gelsevirine | KNApSAcK: C00025090 |
| C21H24O3N2 | 352.17869 | 18.213 | Akuammidine | KEGG: C09026 KNApSAcK: C00001681, C00025197, C00041252 |
| C21H24O3N2 | 352.17869 | 18.213 | 16-Hydroxytabersonine | KEGG: C11643 KNApSAcK: C00024480 |
| C21H24O3N2 | 352.17869 | 18.213 | Modestanine | KNApSAcK: C00024582 |
| C21H24O3N2 | 352.17869 | 18.213 | Minovincine | KNApSAcK: C00025945 |
| C21H24O3N2 | 352.17869 | 18.213 | Protostrychnine | KNApSAcK: C00037693 |
| C21H24O3N2 | 352.17869 | 18.213 | 5-Oxocoronaridine | KNApSAcK: C00025754 |
| C21H24O3N2 | 352.17869 | 18.213 | 3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime | KEGG: C15086 |
| C21H24O3N2 | 352.17869 | 18.213 | 19-Epivindolinine N-oxide | KNApSAcK: C00024497 |
| C21H24O3N2 | 352.17869 | 18.213 | (-)-Schizogamine | KNApSAcK: C00025053 |
| C21H24O3N2 | 352.17869 | 18.213 | 19-Hydroxytabersonine | KEGG: C11642 KNApSAcK: C00024501, C00024505 |
| C21H24O3N2 | 352.17869 | 18.213 | 19,20-Dihydrovomilenine | KNApSAcK: C00024290, C00024347 |
| C21H24O3N2 | 352.17869 | 18.213 | Diaboline | KEGG: C22926 KNApSAcK: C00025165 |