Dataset

Acetonic Acid, 2-Hydroxy-2-methylpropionic acid, 2-Methyllactic acid, 2-Hydroxyisobutyric acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS007907 contains the MS2 mass spectrum of Acetonic Acid, 2-Hydroxy-2-methylpropionic acid, 2-Methyllactic acid, 2-Hydroxyisobutyric acid with the InChIkey BWLBGMIXKSTLSX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
SMILES	CC(C)(C(=O)O)O
InChI Key	BWLBGMIXKSTLSX-UHFFFAOYSA-N
Molecular Formula	C4H8O3
Exact Mass	104.105 g/mol

Data and Resources

Acetonic Acid, 2-Hydroxy-2-methylpropionic...HTML
Explore
- More information
- Go to resource

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-PS007907
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:48.709603
MetadataModified	2024-01-11T21:07:48.872906
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1345148	ChEMBL
50129	ChEBI
LMFA01050417	LipidMaps
HXIBAC	CCDC
J2.707C	Nikkaji
HY-W015924	MedChemExpress
DTXSID4032954	EPA CompTox Dashboard
ZINC000001673419	ZINC
484715	eMolecules
PD123991	ProbesDrugs
DMW250U2HF	FDA SRS
594-61-6	ACToR
11671	PubChem
14867173	PubChem: Thomson Pharma
27909-95-1	ACToR
30096247	NMRShiftDB
MCULE-4093617756	Mcule
SCHEMBL29373	SureChEMBL
214510	Brenda
207303	Brenda
CB0379920	ChemicalBook
HMDB0000729	Human Metabolome Database
194462	Brenda
MTBLC50129	Metabolights
The data in this table is sourced from UniChem at EBI.