Dataset

Indole-3-acetyl-L-isoleucine

This MassBank record with Accession MSBNK-RIKEN-PR304105 contains the MS2 mass spectrum of Indole-3-acetyl-L-isoleucine with the InChIkey WPTUQMUCTTVOFW-BONVTDFDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)/t10-,15-/m0/s1
SMILES CC[C@H](C)[C@H](N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key WPTUQMUCTTVOFW-BONVTDFDSA-N
Molecular Formula C16H20N2O3
Exact Mass 288.347 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304105
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MetadataCreated 2024-01-11T20:22:48.451005
MetadataModified 2025-02-09T18:40:10.367392
MetadataPublished 2019-03-28
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