Spectrum FiehnHILIC000051 for 2-Methoxy-4-vinylphenol

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
YOMSJEATGXXYPX-UHFFFAOYSA-N
C9H10O2
150.06807956
OC1=CC=C(C=C)C=C1OC
InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3

Mass Spectral Metadata

NameValue
M + 0
1758
positive
HCD (NCE 20-30-40%)
8.708667
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)
2.093554063460586
0.6352116772086122
151.0792
[M+H]+
20.852903642491192 ppm
0.0031504399999846555 Da