Dataset

N-ACETYLSERINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102503_EF88 contains the MS2 mass spectrum of N-ACETYLSERINE with the InChIkey JJIHLJJYMXLCOY-BYPYZUCNSA-N.

Chemical Info

InChI	InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
SMILES	CC(=O)N[C@@H](CO)C(O)=O
InChI Key	JJIHLJJYMXLCOY-BYPYZUCNSA-N
Molecular Formula	C5H9NO4
Exact Mass	147.053 g/mol

Data and Resources

N-ACETYLSERINEHTML
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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P102503_EF88
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:01.955205
MetadataModified	2024-01-11T09:32:02.149866
MetadataPublished	2021-12-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
65249	PubChem
60023491	NMRShiftDB
17489505	PubChem: Thomson Pharma
16354-58-8	ACToR
PD008030	ProbesDrugs
W98518XGZ3	FDA SRS
SCHEMBL79542	SureChEMBL
J142.028C	Nikkaji
45441	ChEBI
HMDB0002931	Human Metabolome Database
39759	Brenda
57230	Brenda
47383	Brenda
MTBLC45441	Metabolights
DTXSID30167615	EPA CompTox Dashboard
CB81177505	ChemicalBook
ZINC000000158173	ZINC
DB02340	DrugBank
SAC	PDBe
The data in this table is sourced from UniChem at EBI.