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
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excel file.
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| ID | Name | Adduct | Structure | m/z | RT | CCS | SMI | Type | Z | Ref | CCS Type | CCS method | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CCSBASE_d396f83d9d7b32fd1f3cbbe73adffefd | 4,4'-Propane-1,3-diyldipyridine | [M+H]+ | 199.123 | 0.71 | 146.57 | C1=CN=CC=C1CCCC2=CC=NC=C2 | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_89983c783332d56d67d979daee49258f | 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] | [M+H]+ | 331.0999 | 0.86 | 178.13 | C=CCC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CC=C)O | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_0e9a4e841393e4350b53bbd3d0b72bc2 | 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] | [M+Na]+ | 353.0818 | 0.86 | 193.15 | C=CCC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CC=C)O | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_557d2668f6b5aa954a269d7c57aae126 | 4,4'-Thiodianiline | [M+H]+ | 217.0794 | 0.74 | 159.03 | C1=CC(=CC=C1N)SC2=CC=C(C=C2)N | Organosulfur compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_502ef00bbdbb25841b0515786477e250 | 4-[(Diphenylhydrazinylidene)methyl]-N,N-diethylaniline | [M+H]+ | 344.2121 | 0.97 | 197.64 | CCN(CC)C1=CC=C(C=C1)C=NN(C2=CC=CC=C2)C3=CC=CC=C3 | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_6c382d1335571c57db0ae5fe68fa22a0 | 4-Amino-2,6-dichlorophenol | [M+H]+ | 177.9821 | 0.69 | 138.14 | C1=C(C=C(C(=C1Cl)O)Cl)N | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_b8d28a6c4229579e84638bec351453ad | 4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one | [M+H]+ | 201.0805 | 0.83 | 143.15 | CC(C)(C)C1=NNC(=S)N(C1=O)N | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_e7cd3ce840bb69209983b613cf921549 | 4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one | [M+Na]+ | 223.0624 | 0.88 | 147.38 | CC(C)(C)C1=NNC(=S)N(C1=O)N | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_7b87e3a46612083ed7a1f691f9ae8d88 | 4'-Chloroacetoacetanilide | [M+H]+ | 212.0473 | 0.83 | 144.67 | C1=CC=C(C=C1)NC(=O)CC(=O)CCl | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_5c26002edc3fdb967c9be1990859a5e5 | 4'-Chloroacetoacetanilide | [M+K]+ | 250.0032 | 0.83 | 175.77 | C1=CC=C(C=C1)NC(=O)CC(=O)CCl | Benzenoids | 1 | 1 | TW | polyala |