Dataset

Adipate, 1,6-Hexanedioate, 1,6-Hexane diacid, Acinetten, Adipinic acid, Adipic acid, Dicarboxylic Acid C6, Hexan-1,6-dicarboxylate, Acifloctin, Adilactetten, 1,6-Hexanedioic acid, Adipinsaeure, Butane-1,4-dicarboxylic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS094807 contains the MS2 mass spectrum of Adipate, 1,6-Hexanedioate, 1,6-Hexane diacid, Acinetten, Adipinic acid, Adipic acid, Dicarboxylic Acid C6, Hexan-1,6-dicarboxylate, Acifloctin, Adilactetten, 1,6-Hexanedioic acid, Adipinsaeure, Butane-1,4-dicarboxylic acid with the InChIkey WNLRTRBMVRJNCN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
SMILES C(CCC(=O)O)CC(=O)O
InChI Key WNLRTRBMVRJNCN-UHFFFAOYSA-N
Molecular Formula C6H10O4
Exact Mass 146.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS094807
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:32:25.742659
MetadataModified 2025-02-09T19:06:42.727787
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
30832 ChEBI
CHEMBL1157 ChEMBL
C06104 KEGG Ligand
3323 Brenda
HY-W017522 MedChemExpress
ADIPIC ACID clinicaltrials
ADIPIC ACID rxnorm
ADIPAC CCDC
J10.057I Nikkaji
ZINC000001530348 ZINC
DTXSID7021605 EPA CompTox Dashboard
3474 DrugCentral
LMFA01170048 LipidMaps
CB0718158 ChemicalBook
49894 Brenda
101796 Brenda
HMDB0000448 Human Metabolome Database
1712 Brenda
MTBLC30832 Metabolights
30072 Brenda
113725 Brenda
SCHEMBL4930 SureChEMBL
MCULE-1336748609 Mcule
10005723 NMRShiftDB
22494954 PubChem
196 PubChem
PD002518 ProbesDrugs
0L1 PDBe
15219160 PubChem: Thomson Pharma
124-04-9 ACToR
68937-70-2 ACToR
76A0JE0FKJ FDA SRS
475002 eMolecules
The data in this table is sourced from UniChem at EBI.