Spectrum CCMSLIB00000078864 for Piplartine

Rating: (*)★(*)★(*)★(*)☆( )☆

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
20069-09-4
InChI=1S/C17H19NO5/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/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
C17H19NO5
317.12632270800003
O=C(C=CC1=CC(OC)=C(OC)C(OC)=C1)N2C(=O)C=CCC2
VABYUUZNAVQNPG-BQYQJAHWSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
317.126
1
f.rsilva/piplartine_pos_MSMS_318.mgf;
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
positive
2.4660569831336523
0.633651297910866
318.14
[M+H]+
17.939561199327727 ppm
0.005707291999954123 Da