Spectrum MoNA016114 for Decanoyl-L-carnitine D3

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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/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/p+1/i2D3
LZOSYCMHQXPBFU-BMSJAHLVSA-O
[C17H34NO4]+
319.2670652260907
[H]C([H])([H])[N+](C)(C)CC(OC(=O)CCCCCCCCC)CC(=O)O

Mass Spectral Metadata

NameValue
0.5683035 minutes
0eV
30 NCE
Thermo QExactive-HF
LC-ESI-QEHF
Waters Acquity CSH C18 2.1x100mm 1.7 μm Column
Waters Acquity VanGuard CSH C18 1.7 μm Pre-column
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
Uri Keshet, Raquel Cumeras, Tong Shen, Oliver Fiehn
positive
1.1983242152322857
0.49974001317990335
319.2681
[M]+