Dataset

Ecgonine-methyl-ester (EME)

This MassBank record with Accession MSBNK-Athens_Univ-AU161804 contains the MS2 mass spectrum of Ecgonine-methyl-ester (EME) with the InChIkey QIQNNBXHAYSQRY-ABIFROTESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6?,7?,8-,9+/m0/s1
SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1O)N2C
InChI Key QIQNNBXHAYSQRY-ABIFROTESA-N
Molecular Formula C10H17NO3
Exact Mass 199.121 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-Athens_Univ-AU161804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:05:51.250922
MetadataModified 2025-02-08T19:00:18.482094
MetadataPublished 2015-12-07
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
443844 PubChem
7143-09-1 ACToR
104227993 PubChem: Thomson Pharma
SCHEMBL329029 SureChEMBL
HMDB0006406 Human Metabolome Database
CHEMBL612016 ChEMBL
C12448 KEGG Ligand
The data in this table is sourced from UniChem at EBI.