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_2d688e4e1fa30530a0a1dc08b0015438 | Argatroban monohydrate | [M-H]- | 507.2395 | 0.78 | 209.39 | CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C | Organic acids and derivatives | -1 | 1 | TW | polyala | ||
| CCSBASE_13a3b7f3bfe190caecd23688ab54fdc9 | 3,4,4'-Triaminodiphenyl ether | [M+H]+ | 216.1131 | 0.52 | 156.66 | C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_0215bf1b405517ff5f6933ab713ebafa | Hex-3-yne-2,5-diol | [M+H]+ | 115.0754 | 0.88 | 128.76 | CC(C#CC(C)O)O | Organic oxygen compounds | 1 | 1 | TW | polyala | ||
| CCSBASE_c16e3b0edf08ea3dd02c0c033092bc16 | Methyl 4-methylbenzoate | [M+H]+ | 151.0754 | 0.78 | 128.11 | CC1=CC=C(C=C1)C(=O)OC | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_a4c3086244e1eaa54517b64a2a4eece0 | 2-Hydrazino-4-(4-aminophenyl) thiazole | [M+H]+ | 207.0699 | 0.72 | 143.08 | C1=CC(=CC=C1C2=CSC(=N2)NN)N | Benzenoids | 1 | 1 | TW | polyala | ||
| CCSBASE_8504f55b729a1fc8fffd86114001c47e | alpha-Irone | [M+H]+ | 207.1743 | 0.97 | 152.05 | CC1CC=C(C(C1(C)C)C=CC(=O)C)C | Lipids and lipid-like molecules | 1 | 1 | TW | polyala | ||
| CCSBASE_2f624a9adfc8acd8cba8580ed0e36b82 | Sodium dibutylcarbamodithioate | [M-H]- | 204.0886 | 0.93 | 153.81 | CCCCN(CCCC)C(=S)[S-] | Organic salts | -1 | 1 | TW | polyala | ||
| CCSBASE_9f1b000992cf81a96e19eebc4a76b8b5 | Sodium 2-mercaptobenzothiolate | [M-H]- | 165.979 | 0.78 | 131.54 | C1=CC=C2C(=C1)N=C(S2)[S-] | Organoheterocyclic compounds | -1 | 1 | TW | polyala | ||
| CCSBASE_0da2d5875a8c411b2185da49b34e6694 | Sodium diethyldithiocarbamate trihydrate | [M-H]- | 148.026 | 0.77 | 133.72 | CCN(CC)C(=S)[S-] | Organic salts | -1 | 1 | TW | polyala | ||
| CCSBASE_7310840dedc0b80487faacc74cf496e8 | Clethodim | [M-H]- | 358.1249 | 0.85 | 188.52 | CCC(=NOCC=CCl)C1=C(CC(CC1=O)CC(C)SCC)O | Organic oxygen compounds | -1 | 1 | TW | polyala |