Spectrum CCMSLIB00000479737 for Sphingosine

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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
123-78-4
5353955
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
WWUZIQQURGPMPG-KRWOKUGFSA-N
C18H37NO2
299.282429424
OCC(N)C(O)C=CCCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
299.282
1
Sphingosine2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
2.29268656360589
0.5891039123052335
300.29
[M+H]+
1.3301275432602488 ppm
-3.9942399996562017E-4 Da