Dataset

Laudanosine

This MassBank record with Accession MSBNK-RIKEN-PR301022 contains the MS2 mass spectrum of Laudanosine with the InChIkey KGPAYJZAMGEDIQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
SMILES COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1
InChI Key KGPAYJZAMGEDIQ-UHFFFAOYSA-N
Molecular Formula C21H27NO4
Exact Mass 357.450 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301022
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:18.223597
MetadataModified 2024-01-11T20:42:18.369620
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J10.989D Nikkaji
50270376 BindingDB
HY-122489 MedChemExpress
91599 ChEBI
CHEMBL1407 ChEMBL
HMDB0030213 Human Metabolome Database
159778 Brenda
70550 Brenda
CB9423783 ChemicalBook
SCHEMBL466529 SureChEMBL
1096300 eMolecules
15548 PubChem
PD045768 ProbesDrugs
15423389 PubChem: Thomson Pharma
LSM-1406 LINCS
10016315 NMRShiftDB
MCULE-1703608488 Mcule
The data in this table is sourced from UniChem at EBI.