| SpectraBase Spectrum ID |
5agubfxX8NM |
| Name |
L-kynurenine, 2TMS |
| Alternate Name(s) |
Kynurenine, L-, 2TMS
3-Anthraniloyl-L-alanine, 2TMS
beta-Anthraniloyl-L-alanine, 2TMS
K8625_SIGMA, 2TMS
3-(2-aminobenzoyl)-L-alanine, 2TMS
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 2TMS
(S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
| Comments |
Non-derivatized structure shown; Derivatization type: 2 TMS (mass: 352.164); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000688; Note: The molecular formula of the structure shown is C10H12N2O3 - which differs from the formula reported for the mass spectrum (C16H28N2O3Si2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H28N2O3Si2 |
| 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 |
splash10-0006-1910000000-1013e400267303f142ba |
| Source of Spectrum |
FM-2019-688-0 |
| Wiley ID |
1818366 |
