Dataset
![molecular Image]()
Nicotine; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
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 | n1cc(ccc1)[C@H]2N(C)CCC2 |
| 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/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ300801 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2015-08-25 |
| 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 |
| PD003076 | probes_and_drugs |
| AHEZAQ | CCDC |
| 123346 | brenda |
| 210363 | brenda |
| 2572 | brenda |
| 6751 | brenda |
| HMDB0001934 | hmdb |
| 156400 | bindingdb |
| 158616 | bindingdb |
| 158617 | bindingdb |
| 159725 | bindingdb |
| 159726 | bindingdb |
| 159727 | bindingdb |
| 160335 | bindingdb |
| 160336 | bindingdb |
| 160337 | bindingdb |
| 160338 | bindingdb |
| 162937 | bindingdb |
| 162938 | bindingdb |
| 171362 | bindingdb |
| 171363 | bindingdb |
| 171837 | bindingdb |
| 171838 | bindingdb |
| 172598 | bindingdb |
| 172602 | bindingdb |
| 172607 | bindingdb |
| 172630 | bindingdb |
| 172631 | bindingdb |
| 174396 | bindingdb |
| 175461 | bindingdb |
| 175462 | bindingdb |
| 175791 | bindingdb |
| 175799 | bindingdb |
| 175807 | bindingdb |
| 176304 | bindingdb |
| 176305 | bindingdb |
| 177822 | bindingdb |
| 177833 | bindingdb |
| 180475 | bindingdb |
| 180481 | bindingdb |
| 180487 | bindingdb |
| 180493 | bindingdb |
| 180509 | bindingdb |
| 180510 | bindingdb |
| 183997 | bindingdb |
| 183998 | bindingdb |
| 183999 | bindingdb |
| 186315 | bindingdb |
| 186317 | bindingdb |
| 186319 | bindingdb |
| 186586 | bindingdb |
| 186594 | bindingdb |
| 186602 | bindingdb |
| 186956 | bindingdb |
| 186963 | bindingdb |
| 186970 | bindingdb |
| 186977 | bindingdb |
| 186984 | bindingdb |
| 186991 | bindingdb |
| 186999 | bindingdb |
| 187350 | bindingdb |
| 187720 | bindingdb |
| 187733 | bindingdb |
| 187746 | bindingdb |
| 187759 | bindingdb |
| 187772 | bindingdb |
| 187785 | bindingdb |
| 187798 | bindingdb |
| 188322 | bindingdb |
| 188337 | bindingdb |
| 188352 | bindingdb |
| 189732 | bindingdb |
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| 189979 | bindingdb |
| 198607 | bindingdb |
| 198614 | bindingdb |
| 200259 | bindingdb |
| 200260 | bindingdb |
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| 201532 | bindingdb |
| 201535 | bindingdb |
| 230295 | bindingdb |
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| 387304 | bindingdb |
| 387315 | bindingdb |
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| 387337 | bindingdb |
| 387349 | bindingdb |
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| 50973824 | bindingdb |
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| 50973873 | bindingdb |
| 50973892 | bindingdb |
| 50973893 | bindingdb |
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| 50975235 | bindingdb |
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| 51006522 | bindingdb |
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| 51010027 | bindingdb |
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| 51213440 | bindingdb |
| 51213464 | bindingdb |
| 51213475 | bindingdb |
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| 51213491 | bindingdb |
| 51213494 | bindingdb |
| 51213525 | bindingdb |
| 51252304 | bindingdb |
| 51252335 | bindingdb |
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| 51356905 | bindingdb |
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| 51356910 | bindingdb |
| 51356912 | bindingdb |
| 51356920 | bindingdb |
| 51356922 | bindingdb |
| 51356925 | bindingdb |
| 51356932 | bindingdb |
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| 51356934 | bindingdb |
| 51356973 | bindingdb |
| 51356975 | bindingdb |
| 51359241 | bindingdb |
| 51359270 | bindingdb |
| 51359301 | bindingdb |
| 51398034 | bindingdb |
| 910235 | bindingdb |
| 1920 | drugcentral |
| The data in this table is sourced from UniChem at EBI. | |