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_0568f59dbdd7a4ccf2b015747ce3fad0 | Zileuton | [M-H]- | 235.0546 | 0.77 | 151.91 | CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O | Organic nitrogen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_ea0be8af0df9940aca2c864addccc370 | Neopentyl glycol diglycidyl ether | [M-H]- | 215.1289 | 0.84 | 151.1 | CC(C)(COCC1CO1)COCC2CO2 | Organoheterocyclic compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_eea00db0fb801941f6ba6c7c3d513cc0 | Acetaldehyde ethyl cis-3-hexenyl acetal | [M+Cl]- | 207.1157 | 0.85 | 148.89 | CCC=CCCOC(C)OCC | Organic oxygen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_c228e1a581d4e317e6c9a50f250e8178 | Diethylene glycol dimethyl ether | [M+Cl]- | 169.0637 | 0.75 | 142.72 | COCCOCCOC | Organic oxygen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_b5d37ab4237163e4ae3ed0b0c957806a | Diethylene glycol dimethyl ether | [M+FA-H]- | 179.0925 | 0.77 | 146.03 | COCCOCCOC | Organic oxygen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_4361b7555c8fa232e1382670b9e86032 | Diethylene glycol dimethyl ether | [M-H]- | 133.087 | 0.75 | 132.65 | COCCOCCOC | Organic oxygen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_65f67165de5fa9723e3854a35c369652 | Methyl citronellate | [M+FA-H]- | 229.1445 | 0.84 | 156.75 | CC(CCC=C(C)C)CC(=O)OC | Organic oxygen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_9c9ee3324f958631fee2dc9c90d468ba | Pentyl butyrate | [M+H]+ | 159.138 | 0.8 | 133.58 | CCCCCOC(=O)CCC | Lipids and lipid-like molecules | 1 | 1 | TW | polyala | ||
| CCSBASE_f44ccaaa1811bbf77968fabd2dcfdf71 | 4,4'-Diazene-1,2-diylbis(4-cyanopentanoic acid) | [M+FA-H]- | 325.1154 | 0.77 | 172.6 | CC(CCC(=O)O)(C#N)N=NC(C)(CCC(=O)O)C#N | None | -1 | 1 | TW | polyala | ||
| CCSBASE_3027ab3fafe02af818528383b5d04fd2 | 1,4-Cyclohexanedicarboxylic acid | [M+FA-H]- | 217.0718 | 0.72 | 145.91 | C1CC(CCC1C(=O)O)C(=O)O | None | -1 | 1 | TW | polyala |