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.
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**Make sure the header column names are as follows**
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| ID | Name | Adduct | Structure | m/z | RT | CCS | SMI | Type | Z | Ref | CCS Type | CCS method | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CCSBASE_15a56339ad6e65505af7c3310d4b3849 | N-methyl-alpha-phenylbenzeneacetamide | [M+Na]+ | 248.1046 | 0.78 | 160.52 | CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_a9f83594c1d628ad4ea0b61d6e93ceb5 | N,N-Dimethyldodecylamine-N-oxide | [M+H]+ | 230.2478 | 0.83 | 174.51 | CCCCCCCCCCCC[N+](C)(C)[O-] | Organic nitrogen compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_d801af3f3f83ad3fc762ad3e574ede47 | N,N-Dimethyldodecylamine-N-oxide | [M+H-H2O]+ | 212.2373 | 0.83 | 168.04 | CCCCCCCCCCCC[N+](C)(C)[O-] | Organic nitrogen compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_43352f70c1923c0238b9e558c76f07b5 | Sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate | [M+H]+ | 285.0176 | 0.69 | 162.49 | C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)[O-] | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_4d327e928bc6fc80912e8f11aeb99cac | Sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate | [M+H-H2O]+ | 267.0071 | 0.69 | 157.75 | C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)[O-] | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_a68af9d056c75168372c9199485add3a | 4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide | [M+Na]+ | 331.0723 | 0.76 | 176.44 | COC1=CC(=C(C=C1N)OC)S(=O)(=O)NC2=CC=CC=C2 | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_81b59bf72fc4c8c9d3e12db6163d18f4 | 2-Piperidineethanol | [M+H]+ | 130.1226 | 0.36 | 127.27 | C1CCNC(C1)CCO | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_468925cad5b3c17abbf379d086cd2473 | 1-Dodecyl-2-pyrrolidinone | [M+H]+ | 254.2478 | 1.09 | 179.82 | CCCCCCCCCCCCN1CCCC1=O | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_dcaae0278b681044ad08c72383b1923f | 2-[{2-[2-(Dimethylamino)ethoxy]ethyl}(methyl)amino]ethanol | [M+H]+ | 191.1754 | 0.27 | 140.51 | CN(C)CCOCCN(C)CCO | Organic nitrogen compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_d2fa205a45866f2b7fa847c6f35b3283 | Cypermethrin | [M+Na]+ | 438.0634 | 1.03 | 187.6 | 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 |