Spectrum FiehnHILIC000422 for Hydrocinnamic acid

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC 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
XMIIGOLPHOKFCH-UHFFFAOYSA-N
C9H10O2
150.06807956
O=C(O)CCC=1C=CC=CC1
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

Mass Spectral Metadata

NameValue
M + 0
8.706433
positive
HCD (NCE 20-30-40%)
1581
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.7491566181375027
0.7596490672416708
151.0793
[M+H]+
21.514793886309874 ppm
0.003250439999987975 Da