Spectrum VF-NPL-QEHF017642 for maesopsin

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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/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2
C15H12O6
288.06338810399996
O=C1C=2C(O)=CC(O)=CC2OC1(O)CC3=CC=C(O)C=C3
LOFYFDPXORJJEE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_UC_134_p2_F08_POS_QEHF_486.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.931183639689337
0.5411981724888831
306.0971984863281
[M+NH4]+
15.58203634479723 ppm
-0.004769617671854576 Da