Spectrum VF-NPL-LTQ002210 for 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one

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/C20H20O6/c1-12(10-15-11-13(2)20(22)25-15)8-9-24-16-6-4-14-5-7-17(21)26-18(14)19(16)23-3/h4-8,11,15H,9-10H2,1-3H3/b12-8+
C20H20O6
356.12598835999995
O=C1OC=2C(OC)=C(OCC=C(C)CC3OC(=O)C(=C3)C)C=CC2C=C1
QUKDLMFYXITHBM-XYOKQWHBSA-N

Mass Spectral Metadata

NameValue
35
MX_C2_456_p14_A02_POS_iTree_06.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
2.6072871608038497
0.800248590051649
395.15034681263535
M+H
96207.40247170089 ppm
38.0163884526354 Da