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_40960d089b3299c5738bab8592e12c02 | Tazobactam sodium | [M+H-H2O]+ | 283.0496 | 0.73 | 155.93 | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)[O-])CN3C=CN=N3 | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_e373f6ee4e8ae8501a2660f51b53cf97 | Tazobactam sodium | [M+Na]+ | 323.0421 | 0.74 | 162.3 | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)[O-])CN3C=CN=N3 | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_3b813bd693445f17dfafba47f81f7587 | Tazobactam sodium | [M-H]- | 299.0455 | 0.69 | 160.53 | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)[O-])CN3C=CN=N3 | Organic acids and derivatives | -1 | 1 | TW | polyala | ||
| CCSBASE_9b4ad9ecd418b0dad957a622d29d4758 | 4-(Dimethylamino)phenylthiocyanate | [M+H]+ | 179.0637 | 0.9 | 141.64 | CN(C)C1=CC=C(C=C1)SC#N | Organosulfur compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_eb877555e8cd5ca5051621ddf9c55d4d | Acid Orange 156 | [M+H]+ | 441.1227 | 1.05 | 214.65 | CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N=NC3=CC=C(C=C3)OC | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_d6df0a1a9e70ebd3f4618af617d156ee | Acid Orange 156 | [M+Na]+ | 463.1047 | 1.05 | 231.24 | CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N=NC3=CC=C(C=C3)OC | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_ad02e0b8958d9ce7d7e36ac3237a73df | Acid Orange 156 | [M-H]- | 439.1081 | 1.07 | 229.18 | CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N=NC3=CC=C(C=C3)OC | Organoheterocyclic compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_c4b16b65798f952611abdd3a454e87ea | Midodrine hydrochloride | [M+H]+ | 255.1339 | 0.8 | 154.39 | COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_901ba7e188537d0765fa2bfff2150a9d | Midodrine hydrochloride | [M+H-H2O]+ | 237.1234 | 0.74 | 155.12 | COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O | Organic acids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_78008d4a043256706d1998e802312421 | Midodrine hydrochloride | [M+Na]+ | 277.1159 | 0.75 | 160.45 | COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O | Organic acids and derivatives | 1 | 1 | TW | polyala |