MBDB
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002291
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002291 contains the MS mass spectrum of MBDB with the InChIkey USWVWJSAJAEEHQ-UHFFFAOYSA-N.
Source: MBDB
Chemical Info
| InChI | InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3 |
|---|---|
| SMILES | CCC(NC)Cc(c1)cc(O2)c(OC2)c1 |
| InChI Key | USWVWJSAJAEEHQ-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.126 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 4.0 International (CC BY-NC 4.0) |
| Id | 5a0144f4-0c3e-4325-a06e-72f8f0d08976 |
| Package id | msbnk-waters-wa002291 |
| Resource type | HTML |
| State | active |