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_1bcadf47074ebd8f8dccdc4d7d9c7b41 | Clomipramine hydrochloride | [M+H]+ | 315.1623 | 0.79 | 173.03 | CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_054274cfd5bfaedaef5a3ba2c4bf5c82 | Acid Yellow 11 | [M+H]+ | 359.0809 | 0.91 | 186.81 | CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-] | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_9173a1404ca5ffd6108c6d23619d4964 | Acid Yellow 11 | [M+K]+ | 397.0367 | 0.91 | 197.45 | CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-] | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_330c04cefc9d6f7258038c77e38edbe5 | Acid Yellow 11 | [M+Na]+ | 381.0628 | 0.9 | 208.07 | CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-] | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_3b91b9d8399bff5be89f812b7c7a4017 | Acid Yellow 11 | [M-H]- | 357.0663 | 0.9 | 196.16 | CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-] | Organic acids and derivatives | -1 | 1 | TW | polyala | ||
| CCSBASE_c70421d6254f43ccfd32fc87a7aac118 | Decanoic acid | [M-H]- | 171.139 | 0.94 | 154.96 | CCCCCCCCCC(=O)O | Lipids and lipid-like molecules | -1 | 1 | TW | polyala | ||
| CCSBASE_ab7d913bfa65514ad60f8390fb556bd1 | N-Phenyl-1-naphthylamine | [M+H]+ | 220.1121 | 0.93 | 150.28 | C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32 | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_72f25ee9cd11553d7a05e95c130bf608 | Penicillin VK | [M+H]+ | 351.1009 | 0.81 | 180.31 | CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_87879c38a35609172f03f1e35e09686f | Penicillin VK | [M+H-H2O]+ | 333.0904 | 0.79 | 174.94 | CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_8a9305610ede603dfffefaeb4cef4049 | Propane-1,3-diyl bis(4-aminobenzoate) | [M+Na]+ | 337.1159 | 0.78 | 182.85 | C1=CC(=CC=C1C(=O)OCCCOC(=O)C2=CC=C(C=C2)N)N | Benzenoids | 1 | 1 | TW | polyala |