Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h4H,1-3H3
SMILES COC(=O)C(C(=O)C)C
InChI Key NDTWZHURUDSPQV-UHFFFAOYSA-N
Molecular Formula C6H10O3
Exact Mass 130.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NDTWZHURUDSPQV-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/NDTWZHURUDSPQV-UHFFFAOYSA-N/CHMO0000498
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:53:05.233606
MetadataModified 2024-09-07T23:43:09.763971
MetadataPublished 2022-11-02
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
86508 PubChem
MCULE-7473005493 Mcule
J100.412C Nikkaji
SCHEMBL858078 SureChEMBL
16019779 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.