acetaminophen_BTP_M5
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000504
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000504 contains the MS2 mass spectrum of acetaminophen_BTP_M5 with the InChIkey HRLQZTOIKWEZBN-UHFFFAOYSA-N.
Source: acetaminophen_BTP_M5
Chemical Info
| InChI | InChI=1S/C8H9NO6S/c1-5(10)9-7-3-2-6(4-8(7)11)15-16(12,13)14/h2-4,11H,1H3,(H,9,10)(H,12,13,14) |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)O)O |
| InChI Key | HRLQZTOIKWEZBN-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO6S |
| Exact Mass | 247.015 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 | ebd5b262-b0b4-418c-997c-ae4b7fdf5458 |
| Package id | msbnk-uob-xb000504 |
| Resource type | HTML |
| State | active |