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SL 26:1;O/26:2

View entire compound with spectra: 3 MS (LC)

SL 26:1;O/26:2
SpectraBase Compound ID DzRJtvDeJCS
InChI InChI=1S/C52H99NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-52(55)53-50(49-59(56,57)58)51(54)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h15,17,21,23,45,47,50-51,54H,3-14,16,18-20,22,24-44,46,48-49H2,1-2H3,(H,53,55)(H,56,57,58)/b17-15-,23-21-,47-45+
InChIKey MAVODVCTWMKGPH-NYNLMLFFNA-N
Mol Weight 850.4 g/mol
Molecular Formula C52H99NO5S
Exact Mass 849.724396 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DkiyoC4ly5U
Name SL 26:1;O/26:2
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 849.724396461 u
Formula C52H99NO5S
InChI InChI=1S/C52H99NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-52(55)53-50(49-59(56,57)58)51(54)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h15,17,21,23,45,47,50-51,54H,3-14,16,18-20,22,24-44,46,48-49H2,1-2H3,(H,53,55)(H,56,57,58)/b17-15-,23-21-,47-45+
InChIKey MAVODVCTWMKGPH-NYNLMLFFNA-N
Ion Polarity P
Literature Reference Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163.
Literature Reference DOI https://doi.org/10.1038/s41587-020-0531-2
Precursor Ion [M+NH4]+
SMILES CCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES