Make a CSV file containing information about your queries.
Then upload the CSV file below and click on "Make Queries" to view the results online
and click "Download Results" to download the entire results in one
excel file.
An example of the CSV file can be found below
**Make sure the header column names are as follows**
Upload a CSV file
| ID | Name | Adduct | Structure | m/z | RT | CCS | SMI | Type | Z | Ref | CCS Type | CCS method | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CCSBASE_ef86246b605503ce295891aee2de5364 | Isoproturon | [M+Na]+ | 229.1311 | 0.8 | 158.07 | CC(C)C1=CC=C(C=C1)NC(=O)N(C)C | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_91968df0ed6698c7f5a39e3fa21cc215 | Perindopril erbumine | [M+H]+ | 369.2384 | 0.74 | 187.89 | CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_982f3d5ccf77af33f816c92d3ea17116 | Perindopril erbumine | [M+Na]+ | 391.2203 | 0.75 | 194.22 | CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_a81c96717c329ff7ba0a4a1d1783b6f6 | 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid | [M+H]+ | 316.0638 | 0.79 | 175.03 | C1=CC=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_36f61d99024c80405d8f51dadb230881 | Scopolamine hydrochloride | [M+H]+ | 304.1543 | 0.71 | 171.19 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_81312ee91336d875c2d8d78e6cd16984 | Scopolamine hydrochloride | [M+H-H2O]+ | 286.1438 | 0.7 | 163.17 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_d9b37d32cdfd4a7f7938771a2b3dffeb | Dimethyl nonanedioate | [M+Na]+ | 239.1254 | 0.85 | 154.62 | COC(=O)CCCCCCCC(=O)OC | Lipids and lipid-like molecules | 1 | 1 | TW | polyala | ||
| CCSBASE_55dfe08954cd4528761f7a013a2a0852 | Haloperidol | [M+H]+ | 376.1474 | 0.74 | 190.75 | C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F | Organic oxygen compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_a9c44573911f468b2fac172280da0059 | Haloperidol | [M+H-H2O]+ | 358.1369 | 0.75 | 188.52 | C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F | Organic oxygen compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_1c429de94500d954bab9c4aa771c98d6 | Ethylene glycol diglycidyl ether | [M+Na]+ | 197.0784 | 0.69 | 136.26 | C1C(O1)COCCOCC2CO2 | Organoheterocyclic compounds | 1 | 1 | TW | polyala |