Spectrum KO000577 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
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
KO000577
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID D040
154.02661
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
negative
0.21800874184155078
0.12167299550283703
153
[M-H]-
126.35733333345522 ppm
-0.019332672000018647 Da