Spectrum PM006107 for p-Coumaric acid

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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
164.05
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
NGSWKAQJJWESNS-ZZXKWVIFSA-N
C9H8O3
164.04734411599998
O=C(O)C=CC1=CC=C(O)C=C1

Mass Spectral Metadata

NameValue
PM006107
Ma C, Xiao SY, Li ZG, Wang W, & Du LJ
Copyright(C) 2012 Plant Science Center, RIKEN
QIT
XCT
ESI
negative
Ananas comosus L
[M-H]-
MS2
0.0
NaN
163
[M-H]-
245.8166625766029 ppm
-0.040068115999986276 Da