Dataset

Laudanosine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81575 contains the MS 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 CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC
InChI Key KGPAYJZAMGEDIQ-UHFFFAOYSA-N
Molecular Formula C21H27NO4
Exact Mass 357.194 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-BML81575
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:27.790351
MetadataModified 2024-01-11T22:24:27.956452
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15548 PubChem
PD045768 ProbesDrugs
15423389 PubChem: Thomson Pharma
LSM-1406 LINCS
J10.989D Nikkaji
10016315 NMRShiftDB
MCULE-1703608488 Mcule
CB9423783 ChemicalBook
HMDB0030213 Human Metabolome Database
70550 Brenda
159778 Brenda
SCHEMBL466529 SureChEMBL
50270376 BindingDB
91599 ChEBI
HY-122489 MedChemExpress
CHEMBL1407 ChEMBL
1096300 eMolecules
The data in this table is sourced from UniChem at EBI.