acetaminophen_BTP_M3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000502
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000502 contains the MS2 mass spectrum of acetaminophen_BTP_M3 with the InChIkey IPROLSVTVHAQLE-UHFFFAOYSA-N.
Source: acetaminophen_BTP_M3
Chemical Info
| InChI | InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21) |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O |
| InChI Key | IPROLSVTVHAQLE-UHFFFAOYSA-N |
| Molecular Formula | C14H17NO8 |
| Exact Mass | 327.095 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 4.0 International (CC BY 4.0) |
| Id | 29e61c72-6438-49c9-b6cd-364b59c03698 |
| Package id | msbnk-uob-xb000502 |
| Resource type | HTML |
| State | active |