Dataset

(2S,3R)-2-Amino-3-hydroxybutyric acid, L-2-Amino-3-hydroxybutyric acid, Thr, beta-Methylserine, (2S,3R)-2-Amino-3-hydroxybutanoic Acid, (2S,3R)-2-amino-3-hydroxybutanoic acid, L-Threonine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT202890 contains the MS2 mass spectrum of (2S,3R)-2-Amino-3-hydroxybutyric acid, L-2-Amino-3-hydroxybutyric acid, Thr, beta-Methylserine, (2S,3R)-2-Amino-3-hydroxybutanoic Acid, (2S,3R)-2-amino-3-hydroxybutanoic acid, L-Threonine with the InChIkey AYFVYJQAPQTCCC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
SMILES CC(C(C(=O)O)N)O
InChI Key AYFVYJQAPQTCCC-UHFFFAOYSA-N
Molecular Formula C4H9NO3
Exact Mass 119.120 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-PT202890
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:31:11.208657
MetadataModified 2025-02-09T19:06:52.354126
MetadataPublished 2008-07-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0250801 Human Metabolome Database
J1.252A Nikkaji
LALTRE CCDC
760PJT2SS0 FDA SRS
38263 ChEBI
CHEMBL30037 ChEMBL
PD001101 ProbesDrugs
28954-12-3 ACToR
24830-94-2 ACToR
72-19-5 ACToR
14747555 PubChem: Thomson Pharma
144-98-9 ACToR
632-20-2 ACToR
80-68-2 ACToR
31138-27-9 ACToR
594831 eMolecules
93266 Brenda
9158 Brenda
42621 Brenda
10645 Brenda
CB4475055 ChemicalBook
MTBLC38263 Metabolights
15341575 PubChem
205 PubChem
10009016 NMRShiftDB
SCHEMBL1479 SureChEMBL
MCULE-1563595722 Mcule
The data in this table is sourced from UniChem at EBI.