Spectrum VF-NPL-LTQ000927 for 4-methoxy-9,10-dihydrophenanthrene-2,7-diol

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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/C15H14O3/c1-18-14-8-12(17)7-10-3-2-9-6-11(16)4-5-13(9)15(10)14/h4-8,16-17H,2-3H2,1H3
C15H14O3
242.09429430799997
OC=1C=CC2=C(C1)CCC3=CC(O)=CC(OC)=C23
OPPGAHUCKDKQJR-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C1_380_p11_B04_NEG_iTree_03.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.8239267757395149
0.7499704711462797
241.08174628180427
M-H
21.868209754667333 ppm
-0.005272026195711987 Da