Dataset

Methylecgonine

This MassBank record with Accession MSBNK-Eawag-EQ01153008 contains the MS2 mass spectrum of Methylecgonine with the InChIkey QIQNNBXHAYSQRY-UHFFFAOYSA-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
SMILES CN1C2CCC1C(C(C2)O)C(=O)OC
InChI Key QIQNNBXHAYSQRY-UHFFFAOYSA-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-Eawag-EQ01153008
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:55:06.827038
MetadataModified 2025-02-09T09:55:06.979786
MetadataPublished 2024-05-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
251884 PubChem
80003574 NMRShiftDB
PD039487 ProbesDrugs
SCHEMBL329030 SureChEMBL
CHEMBL305331 ChEMBL
The data in this table is sourced from UniChem at EBI.