Dataset

Pentazocine

This MassBank record with Accession MSBNK-Waters-WA000716 contains the MS mass spectrum of Pentazocine with the InChIkey VOKSWYLNZZRQPF-GDIGMMSISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
SMILES CC(C)=CCN(C3)C([H])(C1)C([H])(C)C(C)(C3)c(c2)c(ccc(O)2)1
InChI Key VOKSWYLNZZRQPF-GDIGMMSISA-N
Molecular Formula C19H27NO
Exact Mass 285.209 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000716
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MetadataCreated 2024-01-11T22:42:26.278335
MetadataModified 2025-02-09T20:28:07.717310
MetadataPublished 2016-01-19
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