Dataset

2-Methylpentanedioic Acid, alpha-Methylglutaric Acid, 2-Methylglutarate, 2-methylpentanedioic acid, 2-Methylglutaric Acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT209900 contains the MS2 mass spectrum of 2-Methylpentanedioic Acid, alpha-Methylglutaric Acid, 2-Methylglutarate, 2-methylpentanedioic acid, 2-Methylglutaric Acid with the InChIkey AQYCMVICBNBXNA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
SMILES	CC(CCC(=O)O)C(=O)O
InChI Key	AQYCMVICBNBXNA-UHFFFAOYSA-N
Molecular Formula	C6H10O4
Exact Mass	146.142 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-RIKEN_ReSpect-PT209900
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:56.181024
MetadataModified	2024-01-11T21:06:56.337183
MetadataPublished	2008-07-29

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12046	PubChem
145275	Brenda
MTBLC68567	Metabolights
LMFA01170084	LipidMaps
191383	Brenda
DTXSID4021632	EPA CompTox Dashboard
CB9739028	ChemicalBook
HMDB0000422	Human Metabolome Database
480415	eMolecules
16154039	PubChem: Thomson Pharma
18069-17-5	ACToR
CHEMBL1971317	ChEMBL
68567	ChEBI
CB6739027	ChemicalBook
PD099460	ProbesDrugs
J22.514B	Nikkaji
HY-W017524	MedChemExpress
U6769P7A6Y	FDA SRS
SCHEMBL28750	SureChEMBL
20208174	NMRShiftDB
The data in this table is sourced from UniChem at EBI.