Dataset

LID_180.1018_12.9

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET080506 contains the MS2 mass spectrum of LID_180.1018_12.9 with the InChIkey LUIJJBHAVXGCTP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13NO2/c1-7-4-3-5-8(2)10(7)11-9(13)6-12/h3-5,12H,6H2,1-2H3,(H,11,13)
SMILES CC1=CC=CC(C)=C1NC(=O)CO
InChI Key LUIJJBHAVXGCTP-UHFFFAOYSA-N
Molecular Formula C10H13NO2
Exact Mass 179.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET080506
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:36.661617
MetadataModified 2025-02-09T11:06:25.539197
MetadataPublished 2016-03-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID50560821 EPA CompTox Dashboard
EIU92KG3IM FDA SRS
J2.770.058F Nikkaji
CB6368164 ChemicalBook
11485768 eMolecules
29183-14-0 ACToR
SCHEMBL5892506 SureChEMBL
14480057 PubChem
The data in this table is sourced from UniChem at EBI.