Spectrum FiehnHILIC002908 for P-Anisic acid

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  • 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
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
C8H8O3
152.04734411599998
O=C(O)C1=CC=C(OC)C=C1
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)

Mass Spectral Metadata

NameValue
M + 0
75
15 eV
negative
1.028067
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.35777902220680213
0.3256645004768256
151.0396
[M-H]-
3.099293165362532 ppm
-4.681159999790907E-4 Da