Spectrum CCMSLIB00000081550 for 8,9-Dihydropiplartine

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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
137760-69-1
InChI=1S/C17H21NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6,10-11H,5,7-9H2,1-3H3
C17H21NO5
319.14197277200003
O=C1C=CCCN1C(=O)CCC2=CC(OC)=C(OC)C(OC)=C2
WAGZSQGCUXDBOA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
qTof
319.142
1
gnps_8_9_Dihydropiplartine_pos_MplusNa.mgf
MS2
GNPS-LIBRARY
rsilva, Monica Pupo, Norberto Lopes
positive
2.587838329974944
0.696859595960818
342.128
[M+Na]+
10.939683393544088 ppm
-0.003742772000066452 Da