Dataset
(-)-Nicotine; LC-ESI-Q; MS; POS; 30 V
Chemical Information
| InChI | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 |
|---|---|
| SMILES | CN(C2)C(CC2)c(c1)cncc1 |
| InChI Key | SNICXCGAKADSCV-JTQLQIEISA-N |
| Molecular Formula | C10H14N2 |
| Exact Mass | 162.116 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001099 |
| 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 |
|---|---|
| DB00184 | drugbank |
| CHEBI:17688 | chebi |
| NCT | rcsb_pdb |
| CHEMBL3 | chembl |
| 20192 | surechembl |
| 29350932 | surechembl |
| 89594 | pubchem |
| 6M3C89ZY6R | fdasrs |
| NCT - Ideal conformer | pdbe |
| PD003076 | probes_and_drugs |
| AHEZAQ | CCDC |
| 123346 | brenda |
| 210363 | brenda |
| 2572 | brenda |
| 6751 | brenda |
| HMDB0001934 | hmdb |
| 1920 | drugcentral |
| 50004108 | bindingdb |
| 82070 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |