Dataset

Rosmarinic acid

This MassBank record with Accession MSBNK-RIKEN-PR305759 contains the MS2 mass spectrum of Rosmarinic acid with the InChIkey DOUMFZQKYFQNTF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)
SMILES OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C=CC1=CC(O)=C(O)C=C1
InChI Key DOUMFZQKYFQNTF-UHFFFAOYSA-N
Molecular Formula C18H16O8
Exact Mass 360.318 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-PR305759
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:57.029625
MetadataModified 2024-01-11T20:43:57.183595
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5099 PubChem
PD056213 ProbesDrugs
HMDB0257311 Human Metabolome Database
DTXSID70896992 EPA CompTox Dashboard
MCULE-4940422066 Mcule
The data in this table is sourced from UniChem at EBI.