Spectrum MoNA036382 for SPHINGANINE

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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
OTKJDMGTUTTYMP-ZWKOTPCHSA-N
C18H39NO2
301.29807948800004
OCC(N)C(O)CCCCCCCCCCCCCCC
InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C18H39NO2
positive
20 eV
Sonnenburg Lab MS2 Library HILIC positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
2.447303754370219
0.6777511462668762
302.3053555
[M+H]+
2.295652350833667 ppm
-6.939880000231824E-4 Da