Dataset

(+)-Tubocurarine chloride

This MassBank record with Accession MSBNK-RIKEN-PR301828 contains the MS2 mass spectrum of (+)-Tubocurarine chloride with the InChIkey JFJZZMVDLULRGK-URLMMPGGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/t28-,29+/m0/s1
SMILES COC1=C([O-])C2=C3[C@@H](CC4=CC(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(O2)C=C7)C6=C5)=C(O)C=C4)[N+](C)(C)CCC3=C1
InChI Key JFJZZMVDLULRGK-URLMMPGGSA-N
Molecular Formula C37H40N2O6
Exact Mass 608.735 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-PR301828
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:29:55.556847
MetadataModified 2025-02-09T18:31:35.793034
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137832347 PubChem
The data in this table is sourced from UniChem at EBI.