Dataset

Tiglylglycine, N-Tigloylglycine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS100204 contains the MS2 mass spectrum of Tiglylglycine, N-Tigloylglycine with the InChIkey WRUSVQOKJIDBLP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)
SMILES CC=C(C)C(=O)NCC(=O)O
InChI Key WRUSVQOKJIDBLP-UHFFFAOYSA-N
Molecular Formula C7H11NO3
Exact Mass 157.169 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-PS100204
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:15:32.736418
MetadataModified 2025-02-09T19:06:45.172387
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
182199 ChEBI
169720 PubChem
HMDB0247952 Human Metabolome Database
SCHEMBL528244 SureChEMBL
The data in this table is sourced from UniChem at EBI.