Spectrum VF-NPL-LTQ007662 for Piplartine

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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/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
317.126322708
O=C(C=CC1=CC(OC)=C(OC)C(OC)=C1)N2C(=O)C=CCC2
VABYUUZNAVQNPG-BQYQJAHWSA-N

Mass Spectral Metadata

NameValue
35
NP_UC_2553_p07_A11_POS_iTree_04.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
340.17669292827986
M-H
70721.03033629055 ppm
24.057646220279878 Da