| SpectraBase Spectrum ID |
2mJVlLFRBbc |
| Name |
2-Pyrrolidinone,3-hydroxy-1-methyl-5-(3-pyridinyl)- |
| CAS Registry Number |
61192-46-9 |
| Classification |
Nicotine metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.089877632 u |
| Formula |
C10H12N2O2 |
| InChI |
InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3 |
| InChIKey |
XOKCJXZZNAUIQN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.218 g/mol |
| Nominal Mass |
192 u |
| Quality |
923 |
| Retention Index |
1555 |
| SMILES |
OC1C(N(C(C=2C=NC=CC2)C1)C)=O |
| SPLASH |
splash10-052f-6900000000-651273f9050a15006e5e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hydroxycotinine
3-Hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030845 |
