Dataset

Pantothenic acid (not validated)

This MassBank record with Accession MSBNK-RIKEN-PR310801 contains the MS2 mass spectrum of Pantothenic acid (not validated) with the InChIkey GHOKWGTUZJEAQD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)
SMILES O=C(O)CCNC(=O)C(O)C(C)(C)CO
InChI Key GHOKWGTUZJEAQD-UHFFFAOYSA-N
Molecular Formula C9H17NO5
Exact Mass 219.237 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-PR310801
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:24.909067
MetadataModified 2024-01-11T20:40:25.062993
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
7916 ChEBI
MTBLC7916 Metabolights
66Y94D1203 FDA SRS
20249095 NMRShiftDB
DTXSID7047229 EPA CompTox Dashboard
15121387 PubChem: Thomson Pharma
PD008877 ProbesDrugs
CHEMBL2110806 ChEMBL
599-54-2 ACToR
J23.327G Nikkaji
HMDB0250782 Human Metabolome Database
249291 Brenda
988 PubChem
SCHEMBL5437 SureChEMBL
The data in this table is sourced from UniChem at EBI.