Spectrum VF-NPL-QEHF001187 for feruloyltyramine

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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/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
C18H19NO4
313.131408088
OC(=NCCC1=CC=C(O)C=C1)C=CC2=CC=C(O)C(OC)=C2
NPNNKDMSXVRADT-WEVVVXLNSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C1_252_p2_C04_POS_QEHF_04.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.9362369305809664
0.37167522357745025
314.138671875
[M+H]+
2.2480931614871515 ppm
-7.062130000008437E-4 Da