| SpectraBase Spectrum ID |
JFtbZ0iuorY |
| Name |
L-Tryptophan methyl ester |
| CAS Registry Number |
4299-70-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
218.105527697 u |
| Formula |
C12H14N2O2 |
| InChI |
InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m1/s1 |
| InChIKey |
KCUNTYMNJVXYKZ-SNVBAGLBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.256 g/mol |
| Nominal Mass |
218 u |
| Quality |
878 |
| Retention Index |
1827 |
| SMILES |
N[C@](CC=1C=2C(NC1)=CC=CC2)(C(OC)=O)[H] |
| SPLASH |
splash10-001i-2900000000-4e0ba70fb5d1e7cc6779 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005271 |
