Spectrum NGA01412 for Peucedanin

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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
Benzopyranoids
InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
YQBNJPACAUPNLV-UHFFFAOYSA-N
C15H14O4
258.089208928
O=C1OC2=CC=3OC(=C(OC)C3C=C2C=C1)C(C)C

Mass Spectral Metadata

NameValue
NGA01412
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
Origin: Plant, Coumarins
258.2764
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
2.3283829842753123
0.8598005248675344
[M+H]+
259.097178928
0.0 ppm
0.0 Da