Indole-3-acetyl-L-isoleucine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304088
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR304088 contains the MS2 mass spectrum of Indole-3-acetyl-L-isoleucine with the InChIkey WPTUQMUCTTVOFW-BONVTDFDSA-N.
Source: Indole-3-acetyl-L-isoleucine
Chemical Info
| 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 |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | d86818e1-1fec-42b1-a54b-c54257d0954f |
| Package id | msbnk-riken-pr304088 |
| Resource type | HTML |
| State | active |