Spectrum KO001785 for Succinate

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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/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
KDYFGRWQOYBRFD-UHFFFAOYSA-N
C4H6O4
118.026608672
O=C(O)CCC(=O)O

Mass Spectral Metadata

NameValue
KO001785
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 S004
118.02661
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
negative
0.7862516106713552
0.3781070998688414
117
[M-H]-
165.23651282042928 ppm
-0.019332671999990225 Da