Dataset

Eserine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00367 contains the MS2 mass spectrum of Eserine with the InChIkey PIJVFDBKTWXHHD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
SMILES CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
InChI Key PIJVFDBKTWXHHD-UHFFFAOYSA-N
Molecular Formula C15H21N3O2
Exact Mass 275.163 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-BML00367
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:18:50.710768
MetadataModified 2025-02-09T20:11:21.805216
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20054745 NMRShiftDB
4811 PubChem
PD071427 ProbesDrugs
16182158 PubChem: Thomson Pharma
57-47-6 ACToR
SCHEMBL24045 SureChEMBL
182905 ChEBI
1971450 eMolecules
CHEMBL11773 ChEMBL
MCULE-3610265172 Mcule
10709 BindingDB
J2.708.708F Nikkaji
The data in this table is sourced from UniChem at EBI.