Spectrum KO002737 for Dihydrosphingosine

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
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
OTKJDMGTUTTYMP-ZWKOTPCHSA-N
C18H39NO2
301.29807948800004
OCC(N)C(O)CCCCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
KO002737
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID D078
301.29808
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
1.9953554507125277
0.5127049292798074
302
[M+H]+
1013.4089006623905 ppm
-0.30604948800004195 Da