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_04431a9b13684613c289805cd5561521 | Haloxyfop-methyl | [M+Na]+ | 398.0377 | 0.92 | 184.15 | CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_6cb9285dc16439c30f4904e9374110e3 | Denatonium saccharide | [M]+ | 325.2274 | 0.74 | 177.16 | CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_ac2d96559703338bd7f313ac8c826a44 | 12-Hydroxyoctadecanoic acid | [M+Na]+ | 323.2557 | 1.03 | 188.79 | CCCCCCC(CCCCCCCCCCC(=O)O)O | Lipids and lipid-like molecules | 1 | 1 | TW | polyala | ||
| CCSBASE_e583b1e1908b07cc1fe42805bb54dc37 | 12-Hydroxyoctadecanoic acid | [M-H]- | 299.2591 | 1.03 | 182.4 | CCCCCCC(CCCCCCCCCCC(=O)O)O | Lipids and lipid-like molecules | -1 | 1 | TW | polyala | ||
| CCSBASE_b36af1ae35c0fbd9a9257b53b5003a6e | 12-Hydroxyoctadecanoic acid | [M-H-H2O]- | 281.248 | 1.03 | 179.13 | CCCCCCC(CCCCCCCCCCC(=O)O)O | Lipids and lipid-like molecules | -1 | 1 | TW | polyala | ||
| CCSBASE_277a914065429b1888a1f84d1b9c2232 | Azacyclotridecan-2-one | [M+FA-H]- | 242.1762 | 0.83 | 161.83 | C1CCCCCC(=O)NCCCCC1 | Phenylpropanoids and polyketides | -1 | 1 | TW | polyala | ||
| CCSBASE_5de1ab626301903ad68eff3ec4b75766 | Azacyclotridecan-2-one | [M+H]+ | 198.1852 | 0.85 | 147.99 | C1CCCCCC(=O)NCCCCC1 | Phenylpropanoids and polyketides | 1 | 1 | TW | polyala | ||
| CCSBASE_e380cd7d556b4e8998ca248fa614e72b | Azacyclotridecan-2-one | [M+H-H2O]+ | 180.1747 | 0.85 | 148.67 | C1CCCCCC(=O)NCCCCC1 | Phenylpropanoids and polyketides | 1 | 1 | TW | polyala | ||
| CCSBASE_eccf7bd5fb2e00d5141f09b6ee148a27 | Azacyclotridecan-2-one | [M+Na]+ | 220.1672 | 0.81 | 164.57 | C1CCCCCC(=O)NCCCCC1 | Phenylpropanoids and polyketides | 1 | 1 | TW | polyala | ||
| CCSBASE_3c22e291e18fd5a3f6e0b4d416b0e5bc | Lauryldiethanolamine | [M+H]+ | 274.2741 | 0.82 | 184.33 | CCCCCCCCCCCCN(CCO)CCO | Organic nitrogen compounds | 1 | 1 | TW | polyala |