Dataset

Mycophenolic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00275 contains the MS2 mass spectrum of Mycophenolic acid with the InChIkey HPNSFSBZBAHARI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)
SMILES CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC
InChI Key HPNSFSBZBAHARI-UHFFFAOYSA-N
Molecular Formula C17H20O6
Exact Mass 320.126 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-BML00275
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:11:12.288452
MetadataModified 2025-02-09T20:03:30.353057
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD055576 ProbesDrugs
LSM-2681 LINCS
SCHEMBL2514376 SureChEMBL
MCULE-1286782468 Mcule
4272 PubChem
HMDB0246691 Human Metabolome Database
92545 ChEBI
The data in this table is sourced from UniChem at EBI.