Dataset

Panthenol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01113 contains the MS2 mass spectrum of Panthenol with the InChIkey SNPLKNRPJHDVJA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
SMILES	CC(C)(CO)C(C(=O)NCCCO)O
InChI Key	SNPLKNRPJHDVJA-UHFFFAOYSA-N
Molecular Formula	C9H19NO4
Exact Mass	205.131 g/mol

Data and Resources

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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-BML01113
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:27:44.898327
MetadataModified	2024-01-11T22:27:45.066861
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1371937	ChEMBL
495606	eMolecules
panthenol	DailyMed
CB3274109	ChemicalBook
DEXPANTHENOL	clinicaltrials
DTXSID3044598	EPA CompTox Dashboard
MCULE-2403906933	Mcule
40129051	NMRShiftDB
WV9CM0O67Z	FDA SRS
ILOPAN	clinicaltrials
PANTHENOL	clinicaltrials
HY-B1024	MedChemExpress
PANTHENOL	rxnorm
PANTHENOL	DailyMed
SCHEMBL15567	SureChEMBL
HMDB0304820	Human Metabolome Database
J321.113D	Nikkaji
4678	PubChem
DB11204	DrugBank
PD000345	ProbesDrugs
LSM-6472	LINCS
14748785	PubChem: Thomson Pharma
1113-70-8	ACToR
16485-10-2	ACToR
81-13-0	ACToR
The data in this table is sourced from UniChem at EBI.