Dataset

Carisoprodol

This MassBank record with Accession MSBNK-Waters-WA001590 contains the MS mass spectrum of Carisoprodol with the InChIkey OFZCIYFFPZCNJE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
SMILES	CCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChI Key	OFZCIYFFPZCNJE-UHFFFAOYSA-N
Molecular Formula	C12H24N2O4
Exact Mass	260.174 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001590
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:36:44.761108
MetadataModified	2025-02-09T20:21:43.913259
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD002442	ProbesDrugs
LSM-5197	LINCS
78-44-4	ACToR
PA448809	PharmGKB
15392472	PubChem: Thomson Pharma
2576	PubChem
536553	eMolecules
CB0215440	ChemicalBook
carisoprodol	DailyMed
HMDB0014539	Human Metabolome Database
SCHEMBL33286	SureChEMBL
MCULE-3695657564	Mcule
DB00395	DrugBank
C07927	KEGG Ligand
CHEMBL1233	ChEMBL
SAM002554889	NIH Clinical Collection
3419	ChEBI
509	DrugCentral
7610	Guide to Pharmacology
J1.480J	Nikkaji
SOMA	rxnorm
CARISOPRODOL	rxnorm
CARISOPRODOL	clinicaltrials
21925K482H	FDA SRS
DTXSID8024733	EPA CompTox Dashboard
CARISOPRODOL	DailyMed
The data in this table is sourced from UniChem at EBI.