Spectrum VF-NPL-LTQ007222 for Sinensetin

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
C20H20O7
372.12090298
O=C1C=C(OC=2C=C(OC)C(OC)=C(OC)C12)C=3C=CC(OC)=C(OC)C3
LKMNXYDUQXAUCZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C4_17_p7_E03_iTree_POS_11.RAW
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.974230647381726
0.7480817582956957
373.2768096923828
M+H
396.3190547645974 ppm
0.14793671238282968 Da