Spectrum CCMSLIB00000223895 for Ceramide (18:1/16:0)

Rating: (*)★(*)★(*)★(*)★(*)☆

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
4201-58-5
7850623
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
C34H67NO3
537.512095004
OC(=NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
YDNKGFDKKRUKPY-TURZORIXSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Other
qTof
537.512
1
f.quinnr/OctoberCF/CF57_52213.mzXML;
MS2
GNPS-LIBRARY
amcaraballor, Quinn, Rohwer
positive
3.241242137739522
0.5501422049949428
538.52
[M+H]+
0.12070860881854499 ppm
-6.500400002096285E-5 Da