Citrinin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000431
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000431 contains the MS2 mass spectrum of Citrinin with the InChIkey CBGDIJWINPWWJW-IYSWYEEDSA-N.
Source: Citrinin
Chemical Info
InChI | InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1 |
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SMILES | C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C |
InChI Key | CBGDIJWINPWWJW-IYSWYEEDSA-N |
Molecular Formula | C13H14O5 |
Exact Mass | 250.084 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
Id | b8c6eeb1-d350-44ee-a385-5f6a523e5c7d |
Package id | msbnk-aafc-ac000431 |
Resource type | HTML |
State | active |