Isodityrosine (not validated)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR311146
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR311146 contains the MS2 mass spectrum of Isodityrosine (not validated) with the InChIkey FWZXNPNHUWFOCM-UHFFFAOYSA-N.
Source: Isodityrosine (not validated)
Chemical Info
InChI | InChI=1S/C18H20N2O6/c19-13(17(22)23)7-10-1-4-12(5-2-10)26-16-9-11(3-6-15(16)21)8-14(20)18(24)25/h1-6,9,13-14,21H,7-8,19-20H2,(H,22,23)(H,24,25) |
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SMILES | O=C(O)C(N)CC2=CC=C(OC=1C=C(C=CC=1(O))CC(N)C(=O)O)C=C2 |
InChI Key | FWZXNPNHUWFOCM-UHFFFAOYSA-N |
Molecular Formula | C18H20N2O6 |
Exact Mass | 360.366 g/mol |
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Additional Information
Field | Value |
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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 | 0b974bc9-1e2a-4561-aba5-3de03a4cc9f0 |
Package id | msbnk-riken-pr311146 |
Resource type | HTML |
State | active |