Spectrum KO001475 for cis,cis-Muconic 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
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
TXXHDPDFNKHHGW-CCAGOZQPSA-N
C6H6O4
142.026608672
O=C(O)C=CC=CC(=O)O

Mass Spectral Metadata

NameValue
KO001475
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 M105
142.02661
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
negative
0.022848645640393257
0.032963627756424585
141
[M-H]-
137.11114893630244 ppm
-0.019332672000018647 Da