Spectrum VF-NPL-QEHF013823 for Hesperetin

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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/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
C16H14O6
302.07903816799995
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(OC)C(O)=C3)C1
AIONOLUJZLIMTK-AWEZNQCLSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C3_30_p4_H03_POS_QEHF_72.raw
8
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.6757107151765935
0.6610180116543215
303.0863037109375
[M+H]+
2.324278774161397 ppm
-7.044570624543667E-4 Da