Spectrum VF-NPL-LTQ007086 for Naringenin

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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/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
C15H12O5
272.068473484
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C=C3)C1
FTVWIRXFELQLPI-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C3_2_p5_E10_iTree_NEG_74.RAW
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.5679298060988383
0.5169519874817362
271.17292355268427
M-H
412.0104146849693 ppm
0.11172606868427692 Da