Spectrum CCMSLIB00005464000 for METHYGLUTARATE

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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
626-51-7
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
C6H10O4
146.0579088
O=C(O)CC(C)CC(=O)O
XJMMNTGIMDZPMU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
146.058
1
MSV000084493/peak/mzXML/GNPS00004_F10_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
3.157681755402358
0.7953273522845977
169.047
[M+Na]+
4.015451324204902 ppm
-6.78800000002866E-4 Da