| SpectraBase Spectrum ID |
B0jIDRIp3y4 |
| Name |
L-kynurenine, 3TMS |
| Alternate Name(s) |
Kynurenine, L-, 3TMS
3-Anthraniloyl-L-alanine, 3TMS
beta-Anthraniloyl-L-alanine, 3TMS
K8625_SIGMA, 3TMS
3-(2-aminobenzoyl)-L-alanine, 3TMS
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 3TMS
(S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
| Comments |
Non-derivatized structure shown; Derivatization type: 3 TMS (mass: 424.203); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000682; Note: The molecular formula of the structure shown is C10H12N2O3 - which differs from the formula reported for the mass spectrum (C19H36N2O3Si3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H36N2O3Si3 |
| InChI |
InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 |
| InChIKey |
YGPSJZOEDVAXAB-QMMMGPOBSA-N |
| Molecular Weight |
208.217 g/mol |
| SMILES |
OC([C@](CC(c1ccccc1N)=O)(N)[H])=O |
| SPLASH |
splash10-014l-0931000000-f5e7ad0a5f9635d170ff |
| Source of Spectrum |
FM-2019-682-0 |
| Wiley ID |
1818360 |
