Dataset

Reserpic acid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301766 contains the MS2 mass spectrum of Reserpic acid with the InChIkey JVHNBFFHWQQPLL-WOXROFTLSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17-,18-,19+,21+/m1/s1
SMILES	CO[C@H]1[C@H](O)C[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@H]3C[C@@H]2[C@@H]1C(O)=O
InChI Key	JVHNBFFHWQQPLL-WOXROFTLSA-N
Molecular Formula	C22H28N2O5
Exact Mass	400.475 g/mol

Data and Resources

Reserpic acidHTML

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Related Molecule ⌄

(1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid

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-PR301766
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	(1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:46690	chebi
CHEMBL411716	chembl
30401625	surechembl
571464	surechembl
65747	pubchem
K6L9W0QP1W	fdasrs
PD008753	probes_and_drugs
50374533	bindingdb
The data in this table is sourced from UniChem at EBI.