Spectrum VF-NPL-LTQ006049 for Evoxine

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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/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3
C18H21NO6
347.136887392
OC(COC=1C=CC2=C(N=C3OC=CC3=C2OC)C1OC)C(O)(C)C
FGANMDNHTVJAHL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C1_134_p6_E04_POS_iTree_21.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.1444378619504527
0.8255374140207431
385.9896523157756
M+H
98046.13853434338 ppm
37.84479492377557 Da