Spectrum MSJ00002 for Feruloyltyramine

Rating: (*)★(*)★(*)★(*)★(*)☆

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
Natural Product; Phenylpropanoids; ferulic acid esters
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+
NPNNKDMSXVRADT-WEVVVXLNSA-N
C18H19NO4
313.131408088
OC(=NCCC1=CC=C(O)C=C1)C=CC2=CC=C(O)C(OC)=C2

Mass Spectral Metadata

NameValue
MSJ00002
2016.01.19 (Created 2014.07.16)
CASMI2013 organizers
CC BY-SA
Mass Spectrometry Society of Japan
313.13141
Solanaceae
LCMS-ITTOF, Shimadzu
LC-ESI-ITTOF
MS2
200 C
120 %
ESI
1.5 L/min
Agilent Poroshell 120 EC-C18 (2.1 x 75 mm)
10-70% acetonitrile for 8 min
0.2 mL/min
H2O (0.1% formate)/acetonitrile (0.1% formate)
positive
0.846642956837903
0.5260488461822348
314.1398
[M+H]+
1.343070823814348 ppm
4.219119999788745E-4 Da