Spectrum CCMSLIB00000078813 for NCGC00160219-01!METHYLHALFORDINOL

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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
C15H12N2O2
252.089877624
N1=CC=CC(=C1)C2=NC=C(O2)C3=CC=C(OC)C=C3
InChI=1S/C15H12N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-15(19-14)12-3-2-8-16-9-12/h2-10H,1H3
LHPXYPROPRFEQE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Prestwick Phytochem Lib
qTOF
252.09
1
p1-F04_GF4_01_17936.mzXML
MS2
GNPS-PRESTWICKPHYTOCHEM
vphelan, Dorrestein, VVP/LMS
positive
4.820966534701188
0.6899425064343141
253.098
[M+H]+
0.6020434772966577 ppm
1.523760000168295E-4 Da