Spectrum FiehnHILIC002486 for 3,4-Dihydroxybenzoic 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
YQUVCSBJEUQKSH-UHFFFAOYSA-N
C7H6O4
154.026608672
O=C(O)C1=CC=C(O)C(O)=C1
InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)

Mass Spectral Metadata

NameValue
M + 0
15 eV
negative
35 eV
2.366667
265
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.5954570216108479
0.2863542973801609
153.0205
[M-H]-
7.628572642095414 ppm
0.0011673279999797614 Da