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_cd55a42b8d23bfe2f50b9001b655d16e | Tolyltriazole | [M+H]+ | 134.0713 | 0.78 | 126.66 | CC1=CC2=NNN=C2C=C1 | Organoheterocyclic compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_a0b7f8c719a2347d8b34110440bcf4b2 | Tolyltriazole | [M-H]- | 132.0567 | 0.76 | 131.48 | CC1=CC2=NNN=C2C=C1 | Organoheterocyclic compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_2f494be3422fffac244adbd25f2385b4 | Ethyl 4-methylbenzoate | [M+FA-H]- | 209.0819 | 0.76 | 145.62 | CCOC(=O)C1=CC=C(C=C1)C | Benzenoids | -1 | 1 | TW | polyala | ||
| CCSBASE_bf667cf92ac374cec1f1d8ec4d42e747 | Cariporide mesylate | [M+H]+ | 284.1063 | 0.73 | 172.61 | CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C | Lipids and lipid-like molecules | 1 | 1 | TW | polyala | ||
| CCSBASE_35aed8966aed62a85a6437c3334d048a | Cariporide mesylate | [M-H]- | 282.0918 | 0.71 | 169.62 | CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C | Lipids and lipid-like molecules | -1 | 1 | TW | polyala | ||
| CCSBASE_e0f31df20b313c59934fb24fcaa6f5a5 | gamma-Caprolactone | [M+FA-H]- | 159.0663 | 0.73 | 136.57 | CCC1CCC(=O)O1 | Organoheterocyclic compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_0bf04ff96b2d2e06a7e68d38e6b29b78 | Hydrocinnamic acid | [M+FA-H]- | 195.0663 | 0.73 | 144.06 | C1=CC=C(C=C1)CCC(=O)O | Phenylpropanoids and polyketides | -1 | 1 | TW | polyala | ||
| CCSBASE_539caeaff921786a2d4ae32a53846f53 | Hydrocinnamic acid | [M-H]- | 149.0608 | 0.74 | 135.45 | C1=CC=C(C=C1)CCC(=O)O | Phenylpropanoids and polyketides | -1 | 1 | TW | polyala | ||
| CCSBASE_17b58dacefc9b0c5a40d1e5d1d7e7981 | Bromocriptine mesylate | [M+H]+ | 654.2286 | 0.79 | 243.15 | CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O | Alkaloids and derivatives | 1 | 1 | TW | polyala | ||
| CCSBASE_c6bdf2b00c24f843ca4719957f800c1c | Bromocriptine mesylate | [M+H-H2O]+ | 636.2181 | 0.79 | 227.2 | CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O | Alkaloids and derivatives | 1 | 1 | TW | polyala |