Dataset

Penicillic Acid

This MassBank record with Accession MSBNK-AAFC-AC000669 contains the MS2 mass spectrum of Penicillic Acid with the InChIkey VOUGEZYPVGAPBB-XQRVVYSFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-
SMILES CC(=C)C(=O)/C(=C/C(=O)O)/OC
InChI Key VOUGEZYPVGAPBB-XQRVVYSFSA-N
Molecular Formula C8H10O4
Exact Mass 170.058 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-AAFC-AC000669
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:37.730419
MetadataModified 2024-01-11T09:24:37.878109
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-N6777 MedChemExpress
SCHEMBL8050382 SureChEMBL
J3.919E Nikkaji
ZINC000001854717 ZINC
CB0338325 ChemicalBook
70003962 NMRShiftDB
PD125420 ProbesDrugs
1268111 PubChem
The data in this table is sourced from UniChem at EBI.