| SpectraBase Spectrum ID |
JFoX9zOYhNo |
| Name |
Pyroglutamic acid |
| CAS Registry Number |
98-79-3 |
| Classification |
Amino acid |
| 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 |
129.042593086 u |
| Formula |
C5H7NO3 |
| InChI |
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 |
| InChIKey |
ODHCTXKNWHHXJC-VKHMYHEASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
129.115 g/mol |
| Nominal Mass |
129 u |
| Quality |
890 |
| Retention Index |
1025 |
| SMILES |
OC([C@]1(NC(CC1)=O)[H])=O |
| SPLASH |
splash10-001i-9000000000-be0515861a719e3ee39d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
L-Pyroglutamic acid
Pidolic acid
(2S)-5-Oxopyrrolidine-2-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008405 |
