Spectrum CCMSLIB00005720578 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
764-22-7
91486
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
C18H39NO2
301.29807948800004
OCC(N)C(O)CCCCCCCCCCCCCCC
OTKJDMGTUTTYMP-ZWKOTPCHSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
301.298
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
2.9765549710823573
0.6959989132299114
302.306
[M+H]+
0.16370167994936502 ppm
-4.948800005877274E-5 Da