Spectrum VF-NPL-QEHF027239 for Securinine

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1
C13H15NO2
217.11027872
O=C1OC23C(C=CC(N4CCCCC42)C3)=C1
SWZMSZQQJRKFBP-WZRBSPASSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_UC_2548_p7_D10_6.raw
11
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.56219658045997
0.43347736942418186
256.0734252929688
[M+K]+
527.7916944195126 ppm
-0.1351534270311845 Da