| SpectraBase Spectrum ID |
2ng6iIemm24 |
| Name |
Ricinine |
| CAS Registry Number |
524-40-3 |
| Classification |
Ricine poisoning marker |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
164.058577504 u |
| Formula |
C8H8N2O2 |
| InChI |
InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3 |
| InChIKey |
PETSAYFQSGAEQY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.164 g/mol |
| Nominal Mass |
164 u |
| Quality |
911 |
| Retention Index |
1282 |
| SMILES |
C=1(C(N(C=CC1OC)C)=O)C#N |
| SPLASH |
splash10-03di-6900000000-70e54bb78ce9b7848fb5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Pyridinecarbonitrile
1,2-dihydro-4-methoxy-1-methyl-2-oxo-
4-Methoxy-1-methyl-2-oxo-pyridine-3-carbonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030976 |
