Spectrum CCMSLIB00005463600 for "2,5-DIHYDROXYBENZOATE"

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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
na
InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
C7H6O4
154.026608672
O=C(O)C1=CC(O)=CC=C1O
WXTMDXOMEHJXQO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
154.027
-1
MSV000084072/peak/negative/GNPS00001_A1_n.mzXML
MS2
GNPS-MSMLS
mpanitchpakdi, Dorrestein, Fernando Vargas
negative
1.5083511056082035
0.4061725687598742
153.019
[M-H]-
2.174056816559969 ppm
-3.3267200001318997E-4 Da