Spectrum CCMSLIB00000077202 for C18_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
C18H37NO2
299.282429424
OCC(N)C(O)C=CCCCCCCCCCCCCC
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+
WWUZIQQURGPMPG-CCEZHUSRSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial standard
Q-TOF
299.282
1
Sphingosine_C18.mzXML
MS2
GNPS-LIBRARY
Amina, abouslimani, Dorrestein
positive
2.9009003413900736
0.6102546127803478
300.29
[M+H]+
1.3301275432602488 ppm
-3.9942399996562017E-4 Da