Spectrum CCMSLIB00005723372 for Hydrocinnamic 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
501-52-0
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
C9H10O2
150.06807956
O=C(O)CCC=1C=CC=CC1
XMIIGOLPHOKFCH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
qTof
150.068
1
t.26a548a5e13c475598f60fbc49510d9f/spectra/specs_ms.mgf;
MS2
GNPS-LIBRARY
Carballo-C., Rommel-A., Rommelio_coli, Moreno-Ulloa, Aldo
positive
2.01949721473578
0.38847713148429663
151.075
[M+H]+
6.947277842215201 ppm
-0.0010495600000126615 Da