Dataset

3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS025504 contains the MS2 mass spectrum of 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid with the InChIkey SEOVTRFCIGRIMH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
SMILES C1=CC=C2C(=C1)C(=CN2)CC(=O)O
InChI Key SEOVTRFCIGRIMH-UHFFFAOYSA-N
Molecular Formula C10H9NO2
Exact Mass 175.187 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-PS025504
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:30.926436
MetadataModified 2024-01-11T21:06:31.125886
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C00954 KEGG Ligand
CHEMBL82411 ChEMBL
IAC PDBe
509953 eMolecules
INACET CCDC
MCULE-9266736782 Mcule
20097589 NMRShiftDB
J5.156J Nikkaji
PD004861 ProbesDrugs
5978 Brenda
indole-3-acetic acid Atlas
6U1S09C61L FDA SRS
14843190 PubChem: Thomson Pharma
54692-39-6 ACToR
SCHEMBL26344 SureChEMBL
6505-45-9 ACToR
DB07950 DrugBank
802 PubChem
MTBLC16411 Metabolights
141265 Brenda
134272 Brenda
6264 Brenda
5977 Brenda
3639 Brenda
170341 Brenda
14476 Brenda
2965 Brenda
30088 Brenda
103892 Brenda
44248 Brenda
92763 Brenda
61244 Brenda
20312 Brenda
7152 Brenda
43329 Brenda
HMDB0000197 Human Metabolome Database
CB8783347 ChemicalBook
222046 Brenda
16411 ChEBI
5162 Brenda
ZINC000000083860 ZINC
HY-18569 MedChemExpress
230349 Brenda
50201883 BindingDB
DTXSID5020738 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.