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**
ID | Name | Adduct | Structure | m/z | CCS | SMI | Type | Z | Ref | CCS Type | CCS method |
---|---|---|---|---|---|---|---|---|---|---|---|
CCSBASE_664DD1CC6A | Abscisic Acid | [M+Na]+ | 287.12537 | 176.1752655 | CC1=CC(=O)CC(C1(/C=C/C(=C\C(=O)O)/C)O)(C)C | small molecule | 1 | 10 | DT | stepped-field | |
CCSBASE_E227F099CD | Linoleic Acid (C18:2) | [M+Na]+ | 303.2295 | 176.3763405 | None | small molecule | 1 | 10 | DT | stepped-field | |
CCSBASE_144B67E134 | 5'-Methylthioadenosine | [M+Na]+ | 320.078666 | 176.5439031 | CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O | small molecule | 1 | 10 | DT | stepped-field | |
CCSBASE_537E59AD7D | 2_-Deoxyadenosine 5_-Monophosphate | [M+Na]+ | 354.057276 | 176.6779531 | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O | small molecule | 1 | 10 | DT | stepped-field | |
CCSBASE_8BAF88E5BF | D-(+)-Turanose | [M+Na]+ | 365.1054242 | 177.0 | C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O | small molecule | 1 | 10 | DT | stepped-field | |
CCSBASE_9A97042D19 | Guanosine | [M+Na]+ | 306.080776 | 177.2476658 | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N | small molecule | 1 | 10 | DT | stepped-field | |
CCSBASE_D8EDD10566 | Palatinose | [M+Na]+ | 365.1054242 | 177.3146908 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H](C(O2)(CO)O)O)O)O)O)O)O | carbohydrate | 1 | 10 | DT | stepped-field | |
CCSBASE_127F6A4496 | Xanthosine | [M+Na]+ | 307.0648992 | 177.4487409 | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O | small molecule | 1 | 10 | DT | stepped-field | |
CCSBASE_9A4F8A0E22 | Adenosine 5' Diphosphoglucose | [M+Na]+ | 612.071454 | 177.6163034 | None | small molecule | 1 | 10 | DT | stepped-field | |
CCSBASE_93F94D983B | Genistein | [M+Na]+ | 293.042039 | 177.6666667 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O | small molecule | 1 | 10 | DT | stepped-field |