Spectrum VF-NPL-QEHF011634 for Physcion

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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/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
C16H12O5
284.068473484
O=C1C2=CC(OC)=CC(O)=C2C(=O)C3=C(O)C=C(C=C13)C
FFWOKTFYGVYKIR-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_C2_51_p1_B11_NEG_QEHF_1960.raw
8
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.6447255254951905
0.3479142369037084
283.0611877441406
[M-H]-
0.03440902457477888 ppm
-9.739859365254233E-6 Da