Dataset

1-Hydroxyethanecarboxylic acid, alpha-Hydroxypropanoic acid, 2-Hydroxypropionic acid, Lactate, 2-Hydroxy-2-methylacetic acid, Ethylidenelactic acid, Propel, Milk acid, DL-Lactic acid, Milchsaeure

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS078202 contains the MS2 mass spectrum of 1-Hydroxyethanecarboxylic acid, alpha-Hydroxypropanoic acid, 2-Hydroxypropionic acid, Lactate, 2-Hydroxy-2-methylacetic acid, Ethylidenelactic acid, Propel, Milk acid, DL-Lactic acid, Milchsaeure with the InChIkey JVTAAEKCZFNVCJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
SMILES CC(C(=O)O)O
InChI Key JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Molecular Formula C3H6O3
Exact Mass 90.078 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-PS078202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:30:57.790743
MetadataModified 2025-02-09T19:06:27.554551
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
103930 Brenda
1219 Brenda
107650 Brenda
5286 Brenda
132153 Brenda
MTBLC78320 Metabolights
CB1193448 ChemicalBook
CB8193447 ChemicalBook
170247 Brenda
92997 Brenda
7226 Brenda
48511 Brenda
SCHEMBL15902696 SureChEMBL
SCHEMBL999 SureChEMBL
78320 ChEBI
8113 NMRShiftDB
MCULE-5387110670 Mcule
517908 eMolecules
15146339 PubChem: Thomson Pharma
612 PubChem
19789253 PubChem
79-33-4 ACToR
26100-51-6 ACToR
152-36-3 ACToR
50-21-5 ACToR
PD009375 ProbesDrugs
lactic acid Atlas
CHEMBL1200559 ChEMBL
C01432 KEGG Ligand
LACTIC ACID rxnorm
DL-LACTIC ACID rxnorm
MILK ACID clinicaltrials
DL- LACTIC ACID clinicaltrials
DL-LACTIC ACID clinicaltrials
LACTIC ACID clinicaltrials
248882 Brenda
DB04398 DrugBank
DTXSID7023192 EPA CompTox Dashboard
1533 DrugCentral
J1.358G Nikkaji
3B8D35Y7S4 FDA SRS
CB3701203 ChemicalBook
221588 Brenda
The data in this table is sourced from UniChem at EBI.