Dataset
Droperidol; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
Chemical Information
| InChI | InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28) |
|---|---|
| SMILES | c1ccc2c(c1)nc(n2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F)O |
| InChI Key | RMEDXOLNCUSCGS-UHFFFAOYSA-N |
| Molecular Formula | C22H22FN3O2 |
| Exact Mass | 379.170 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-Athens_Univ-AU120711 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2016-02-25 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00450 | drugbank |
| CHEBI:4717 | chebi |
| USS | rcsb_pdb |
| CHEMBL1108 | chembl |
| 29364550 | surechembl |
| 41426 | surechembl |
| 3168 | pubchem |
| O9U0F09D5X | fdasrs |
| 7172 | gtopdb |
| PD001512 | probes_and_drugs |
| GIXXOB | CCDC |
| 217393 | brenda |
| HMDB0014593 | hmdb |
| Molport-003-666-341 | molport |
| 966 | drugcentral |
| 50017705 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |