Spectrum VF-NPL-LTQ000727 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
35
MX_C1_252_p2_C04_POS_iTree_04.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.4395150532160044
0.7397643996640081
352.12660217285156
M-H
113602.52204181715 ppm
40.00247008485155 Da