Dataset

Abrine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00833 contains the MS2 mass spectrum of Abrine with the InChIkey CZCIKBSVHDNIDH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)
SMILES CNC(CC1=CNC2=CC=CC=C21)C(=O)O
InChI Key CZCIKBSVHDNIDH-UHFFFAOYSA-N
Molecular Formula C12H14N2O2
Exact Mass 218.106 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00833
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:16.831782
MetadataModified 2024-01-11T22:26:16.986618
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.241.439G Nikkaji
25200727 PubChem
1122811 eMolecules
PD001345 ProbesDrugs
CHEMBL2360657 ChEMBL
LSM-4361 LINCS
SCHEMBL18777 SureChEMBL
15092841 PubChem: Thomson Pharma
80004321 NMRShiftDB
MCULE-7141702170 Mcule
93824 ChEBI
112005 Brenda
49996 Brenda
9581 Brenda
914 PubChem
The data in this table is sourced from UniChem at EBI.