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_abf3b31049705558e062fdef302450ee | Minocycline hydrochloride | [M-H]- | 456.1776 | 0.71 | 209.29 | CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C | Phenylpropanoids and polyketides | -1 | 1 | TW | polyala | ||
| CCSBASE_8b8ab3623df01a1c5ae6a81145d26abd | PD-0333941 | [M-H]- | 389.1507 | 0.91 | 197.07 | CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC4=C3C=CN4CCC(=O)O | Organoheterocyclic compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_24006a4e08d0f44e14729e05792aae41 | 2-Methyl-4,6-dinitrophenol | [M-H]- | 197.0204 | 0.82 | 138.32 | CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-] | Benzenoids | -1 | 1 | TW | polyala | ||
| CCSBASE_65548a58023cf7ada4924ad4520ff3bc | 2-Acrylamido-2-methyl-1-propanesulfonic acid | [M-H]- | 206.0493 | 0.69 | 146.41 | CC(C)(CS(=O)(=O)O)NC(=O)C=C | Organic acids and derivatives | -1 | 1 | TW | polyala | ||
| CCSBASE_19e3b8aa87ff11fde4fa43a31c9fed5a | Phenoxyethyl isobutyrate | [M-H]- | 207.1027 | 0.83 | 150.6 | CC(C)C(=O)OCCOC1=CC=CC=C1 | Benzenoids | -1 | 1 | TW | polyala | ||
| CCSBASE_ed061f884f28d2d43bda60175df94ec6 | Tricyclodecanedimethanol | [M-H]- | 195.139 | 0.86 | 158.26 | C1CC2C3CC(C2C1CO)CC3CO | Lipids and lipid-like molecules | -1 | 1 | TW | polyala | ||
| CCSBASE_a83d7206efaeb43eec683ff1a5619732 | 2-(Propan-2-yl)-9H-thioxanthen-9-one | [M-H]- | 253.0693 | 0.97 | 161.05 | CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O | Organoheterocyclic compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_9939ee85965734e031e5480452225c8b | 2-(Propan-2-yl)-9H-thioxanthen-9-one | [M-H]- | 253.0693 | 0.73 | 156.85 | CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O | Organoheterocyclic compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_f4540171b2c4703e930b7826028ebb05 | Octanoic acid | [M-H]- | 143.1078 | 0.79 | 145.45 | CCCCCCCC(=O)O | Lipids and lipid-like molecules | -1 | 1 | TW | polyala | ||
| CCSBASE_819a7ce014523eae3d9ffd60fc7a33ec | p-Xylenol blue | [M-H]- | 409.1115 | 0.86 | 196.28 | CC1=CC(=C(C=C1O)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C(=C4)C)O)C | Organoheterocyclic compounds | -1 | 1 | TW | polyala |