Dataset
![molecular Image]()
Nicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
Chemical Information
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
|---|---|
| SMILES | OC(=O)c(c1)cncc1 |
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2 |
| Exact Mass | 123.032 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO003590 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00627 | drugbank |
| CHEBI:15940 | chebi |
| NIO | rcsb_pdb |
| CHEMBL573 | chembl |
| 1433 | surechembl |
| 16147135 | surechembl |
| 29349574 | surechembl |
| 117629482 | pubchem |
| 938 | pubchem |
| 2679MF687A | fdasrs |
| 1588 | gtopdb |
| 1594 | gtopdb |
| PD001840 | probes_and_drugs |
| NICOAC | CCDC |
| 1029 | brenda |
| 107144 | brenda |
| 11184 | brenda |
| 1282 | brenda |
| 143710 | brenda |
| 145298 | brenda |
| 171408 | brenda |
| 183397 | brenda |
| 221654 | brenda |
| 43365 | brenda |
| 43567 | brenda |
| 45153 | brenda |
| 50899 | brenda |
| 51559 | brenda |
| HMDB0001488 | hmdb |
| 201488 | bindingdb |
| 42649 | bindingdb |
| 50037755 | bindingdb |
| 50069729 | bindingdb |
| 50069746 | bindingdb |
| 50170872 | bindingdb |
| 50378879 | bindingdb |
| 50391657 | bindingdb |
| 50406624 | bindingdb |
| 50406635 | bindingdb |
| 50416230 | bindingdb |
| 50416267 | bindingdb |
| 50425515 | bindingdb |
| 50429370 | bindingdb |
| 50429371 | bindingdb |
| 50430114 | bindingdb |
| 50430117 | bindingdb |
| 50455227 | bindingdb |
| 50455232 | bindingdb |
| 50455261 | bindingdb |
| 50487887 | bindingdb |
| 50566368 | bindingdb |
| 50566369 | bindingdb |
| 50566370 | bindingdb |
| 50578305 | bindingdb |
| 50578739 | bindingdb |
| 50578740 | bindingdb |
| 50579056 | bindingdb |
| 50579083 | bindingdb |
| 50588096 | bindingdb |
| 50588110 | bindingdb |
| 50623996 | bindingdb |
| 50624003 | bindingdb |
| 50624004 | bindingdb |
| 50713878 | bindingdb |
| 50742661 | bindingdb |
| 50814181 | bindingdb |
| 50868110 | bindingdb |
| 50868117 | bindingdb |
| 50881244 | bindingdb |
| 50881270 | bindingdb |
| 50885052 | bindingdb |
| 50885053 | bindingdb |
| 50885054 | bindingdb |
| 50937050 | bindingdb |
| 50937057 | bindingdb |
| 50937067 | bindingdb |
| 50937071 | bindingdb |
| 50946186 | bindingdb |
| 50954806 | bindingdb |
| 51012153 | bindingdb |
| 51040683 | bindingdb |
| 51100958 | bindingdb |
| 51100962 | bindingdb |
| 51100965 | bindingdb |
| 51100975 | bindingdb |
| 51181916 | bindingdb |
| 51181922 | bindingdb |
| 51181934 | bindingdb |
| 51212442 | bindingdb |
| 51212451 | bindingdb |
| 51268522 | bindingdb |
| 51268661 | bindingdb |
| 51337869 | bindingdb |
| 51337878 | bindingdb |
| 51337914 | bindingdb |
| Molport-000-142-273 | molport |
| 2835 | drugcentral |
| The data in this table is sourced from UniChem at EBI. | |