Dataset

Carbobenzoxy-L-asparagine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01843 contains the MS2 mass spectrum of Carbobenzoxy-L-asparagine with the InChIkey FUCKRCGERFLLHP-SECBINFHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m1/s1
SMILES C1=CC=C(C=C1)COC(=O)N[C@H](CC(=O)N)C(=O)O
InChI Key FUCKRCGERFLLHP-SECBINFHSA-N
Molecular Formula C12H14N2O5
Exact Mass 266.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01843
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:57.291238
MetadataModified 2024-01-11T22:26:57.459247
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4474-86-6 ACToR
533395 eMolecules
ZINC000002022596 ZINC
CB3416981 ChemicalBook
DTXSID30364824 EPA CompTox Dashboard
J208.196B Nikkaji
20201409 NMRShiftDB
SCHEMBL3569541 SureChEMBL
1712147 PubChem
The data in this table is sourced from UniChem at EBI.