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_57594d2c31f35abca58c9f3539722374 | 2-Octen-1-ylsuccinic anhydride | [M+H-H2O]+ | 193.1224 | 0.91 | 142.71 | CCCCCC=CCC1CC(=O)OC1=O | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_2e2768f3e32616e69676a065f403a933 | 2-Octen-4-one | [M+FA-H]- | 171.1027 | 0.76 | 145.74 | CCCCC(=O)C=CC | Organic oxygen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_4d06298f78db39b8c7dfe83e2d54fd71 | 2-Octen-4-one | [M-H]- | 125.0972 | 0.77 | 138.24 | CCCCC(=O)C=CC | Organic oxygen compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_2092c1cb5462513fd896f5f45affad5b | 3-(Trifluoromethyl)benzoic acid | [M-H]- | 189.0169 | 0.81 | 136.6 | C1=CC(=CC(=C1)C(F)(F)F)C(=O)O | Benzenoids | -1 | 1 | TW | polyala | ||
| CCSBASE_b23d9cf1009eef98a61a520aa92bdfb4 | 3,3',5-Triiodo-l-thyronine sodium salt | [M+H]+ | 651.7973 | 0.86 | 202.74 | C1C(=CC(=C(C1(I)I)OC2=CC=C(C=C2)O)I)C[C@@H](C(=O)[O-])N | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_54854f3f4e4ccfde22c5320ed065b53b | 3,3',5-Triiodo-l-thyronine sodium salt | [M-H-H2O]- | 631.7717 | 0.88 | 197.77 | C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])N)I)I)O | Organic acids and derivatives | -1 | 1 | TW | polyala | ||
| CCSBASE_587ca40e96bd3eedb3c13e50905bbfbe | 3,3'-Dichlorobenzidine dihydrochloride | [M+H]+ | 255.0264 | 0.88 | 162.8 | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_abd133ecfff02d9be6fc2244f1989361 | 3,3'-Dimethoxybenzidine | [M+H]+ | 245.1285 | 0.74 | 165.17 | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_dee446b163bae33eb8f15f7ed747b467 | 3,3'-Thiodipropionic acid | [M+FA-H]- | 223.0282 | 0.84 | 152.11 | C(CSCCC(=O)O)C(=O)O | Organic acids and derivatives | -1 | 1 | TW | polyala | ||
| CCSBASE_9fdf6c14564ebd102a346060b1b64bab | 3,3'-Thiodipropionic acid | [M+Na]+ | 201.0192 | 0.75 | 137.01 | C(CSCCC(=O)O)C(=O)O | Organic acids and derivatives | 1 | 1 | TW | polyala |