Spectrum CCMSLIB00000578439 for p-coumaric acid

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
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
C9H8O3
164.04734411599998
O=C(O)C=CC1=CC=C(O)C=C1
NGSWKAQJJWESNS-ZZXKWVIFSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
164.047
1
f.TJLing/20160205 standards/YCC-19-1_P1-B-3_01_30550.mzXML;
MS2
GNPS-LIBRARY
TJLing, TJ Ling
positive
0.9183489989901317
0.8359172826143076
165.055
[M+H]+
1.903098966829235 ppm
-3.141159999699994E-4 Da