Dataset
RIBOFLAVIN; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
Chemical Information
| InChI | InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 |
|---|---|
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| InChI Key | AUNGANRZJHBGPY-SCRDCRAPSA-N |
| Molecular Formula | C17H20N4O6 |
| Exact Mass | 376.138 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P103704_EF88 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2021-12-14 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00140 | drugbank |
| CHEBI:17015 | chebi |
| RBF | rcsb_pdb |
| CHEMBL1534 | chembl |
| 29374783 | surechembl |
| 7706 | surechembl |
| 493570 | pubchem |
| TLM2976OFR | fdasrs |
| PD010207 | probes_and_drugs |
| XARWUM | CCDC |
| 229895 | brenda |
| 229896 | brenda |
| 31626 | brenda |
| 351 | brenda |
| 45447 | brenda |
| HMDB0000244 | hmdb |
| 50714574 | bindingdb |
| 50714575 | bindingdb |
| 50714576 | bindingdb |
| 50714577 | bindingdb |
| 50714579 | bindingdb |
| 51284591 | bindingdb |
| 51284619 | bindingdb |
| 51284684 | bindingdb |
| 51284704 | bindingdb |
| 51284768 | bindingdb |
| 51573225 | bindingdb |
| Molport-003-934-329 | molport |
| 2834 | drugcentral |
| The data in this table is sourced from UniChem at EBI. | |