Dataset

2-Isopropylaniline

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT002057 contains the MS2 mass spectrum of 2-Isopropylaniline with the InChIkey YKOLZVXSPGIIBJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3
SMILES CC(C)C1C=CC=CC=1N
InChI Key YKOLZVXSPGIIBJ-UHFFFAOYSA-N
Molecular Formula C9H13N
Exact Mass 135.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT002057
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T11:59:01.195324
MetadataModified 2024-01-15T11:59:01.473367
MetadataPublished 2023-09-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20198911 NMRShiftDB
MCULE-7804784976 Mcule
J33.845A Nikkaji
12561 PubChem
643-28-7 ACToR
40085-42-5 ACToR
16918685 PubChem: Thomson Pharma
SCHEMBL104513 SureChEMBL
CB4490526 ChemicalBook
CHEMBL3560385 ChEMBL
BN8UZ4TE5F FDA SRS
DTXSID6052328 EPA CompTox Dashboard
ZINC000002031561 ZINC
493346 eMolecules
183339 ChEBI
The data in this table is sourced from UniChem at EBI.