Dataset

2-Hydroxy-3-(4-hydroxyphenyl)propanoate, 4-Hydroxyphenyllactate, DL-p-Hydroxyphenyllactic acid, p-Hydroxyphenyllactate, 3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid, HPLA

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS097301 contains the MS2 mass spectrum of 2-Hydroxy-3-(4-hydroxyphenyl)propanoate, 4-Hydroxyphenyllactate, DL-p-Hydroxyphenyllactic acid, p-Hydroxyphenyllactate, 3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid, HPLA with the InChIkey JVGVDSSUAVXRDY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
SMILES C1=CC(=CC=C1CC(C(=O)O)O)O
InChI Key JVGVDSSUAVXRDY-UHFFFAOYSA-N
Molecular Formula C9H10O4
Exact Mass 182.175 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-PS097301
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:38.362136
MetadataModified 2024-01-11T21:07:38.507712
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL235131 SureChEMBL
9378 PubChem
PD101983 ProbesDrugs
15171354 PubChem: Thomson Pharma
539084 eMolecules
20181435 NMRShiftDB
17385 ChEBI
MTBLC17385 Metabolights
20446 Brenda
49995 Brenda
HMDB0000755 Human Metabolome Database
10530 Brenda
105986 Brenda
3055 Brenda
C03672 KEGG Ligand
CHEMBL1162489 ChEMBL
HY-113219 MedChemExpress
J53.667I Nikkaji
MCULE-3818086505 Mcule
EP7PS9S776 FDA SRS
CB3331963 ChemicalBook
The data in this table is sourced from UniChem at EBI.