Spectrum VF-NPL-LTQ003409 for 4'-Methoxyflavanone

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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/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3
C16H14O3
254.094294308
O=C1C=2C=CC=CC2OC(C3=CC=C(OC)C=C3)C1
QIUYUYOXCGBABP-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C3_22_p02_G08_iTree_NEG_12.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.6893169744227333
0.9944741806002618
253.13131260635828
M-H
174.98545676626105 ppm
0.044294298358266815 Da