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_76eb936ddb580823c19ac5218765ceb5 | Acetohexamide | [M+Na]+ | 347.1036 | 0.85 | 188.71 | CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2 | Organic oxygen compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_0a685aa0d53331d6a40657b865ef419e | Acetohexamide | [M-H]- | 323.1071 | 0.79 | 181.76 | CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2 | Organic oxygen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_2e5e624c232b3099febd7ef056dc8218 | Acetyl tributyl citrate | [M+Na]+ | 425.2146 | 1.07 | 204.85 | CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_194886f04a7833ceb9d73fae6002e0cf | Acibenzolar-S-methyl | [M+H]+ | 210.9994 | 0.91 | 136.18 | CSC(=O)C1=C2C(=CC=C1)N=NS2 | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_516ee197096cc5e5961c317e47374c81 | Acid Blue 25 | [M-H]- | 393.055 | 1.06 | 190.84 | C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-] | Benzenoids | -1 | 1 | TW | polyala | ||
| CCSBASE_493c543bcb48c117ff2e58487a5ac28d | Alachlor ESA, sodium salt | [M-H]- | 314.1067 | 0.86 | 172.05 | CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)[O-] | Benzenoids | -1 | 1 | TW | polyala | ||
| CCSBASE_bd621cc258f5aa1eb5230054044b3c5b | Albendazole | [M+H]+ | 266.0958 | 0.84 | 163.28 | CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_f5faea7e93a34e0e2eff9e129363116c | alpha-Cypermethrin | [M+Na]+ | 438.0634 | 1.1 | 199.86 | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C | Lipids and lipid-like molecules | 1 | 1 | TW | polyala | ||
| CCSBASE_d4445999b2208dd969b076ea215a19fc | alpha-Cypermethrin | [M+Na]+ | 438.0634 | 1.1 | 187.77 | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C | Lipids and lipid-like molecules | 1 | 1 | TW | polyala | ||
| CCSBASE_806d116513049331a49158bfe3431b8e | Apigenin | [M+H]+ | 271.0601 | 0.86 | 156.39 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O | Phenylpropanoids and polyketides | 1 | 1 | TW | polyala |