Spectrum CCMSLIB00000479569 for "2,5-Dihydroxybenzoic 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
490-79-9
3469
InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
WXTMDXOMEHJXQO-UHFFFAOYSA-N
C7H6O4
154.026608672
O=C(O)C1=CC(O)=CC=C1O

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
154.027
1
Dihydroxybenzoic_acid_neg2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.4936954593732117
0.45845647663966277
153.019
[M-H]-
2.174056816559969 ppm
-3.3267200001318997E-4 Da