| SpectraBase Spectrum ID |
2mYcjFuSlkW |
| Name |
Pyridoxinic acid lactone |
| CAS Registry Number |
4753-19-9 |
| Classification |
Vitamin B6 derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
165.042593086 u |
| Formula |
C8H7NO3 |
| InChI |
InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3 |
| InChIKey |
HHPDVQLBYQFYFA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
165.148 g/mol |
| Nominal Mass |
165 u |
| Quality |
835 |
| Retention Index |
1300 |
| SMILES |
OC1=C2C(COC2=O)=CN=C1C |
| SPLASH |
splash10-014r-5900000000-9cbcd7add3596ebe1cbd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-Hydroxy-6-methyl-furo[3,4-c]pyridin-1-(3H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003817 |
