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SL 15:2;O/13:0;O
SpectraBase Compound ID H1Lp63Ttbz9
InChI InChI=1S/C28H53NO6S/c1-3-5-7-9-11-13-15-16-18-20-22-26(30)25(24-36(33,34)35)29-28(32)27(31)23-21-19-17-14-12-10-8-6-4-2/h13,15,20,22,25-27,30-31H,3-12,14,16-19,21,23-24H2,1-2H3,(H,29,32)(H,33,34,35)/b15-13+,22-20+
InChIKey HLPWTTBKBDKUSJ-OSVJMXPLNA-N
Mol Weight 531.8 g/mol
Molecular Formula C28H53NO6S
Exact Mass 531.35936 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5qYWRtkTQ73
Name SL 15:2;O/13:0;O
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 531.359359599 u
Formula C28H53NO6S
InChI InChI=1S/C28H53NO6S/c1-3-5-7-9-11-13-15-16-18-20-22-26(30)25(24-36(33,34)35)29-28(32)27(31)23-21-19-17-14-12-10-8-6-4-2/h13,15,20,22,25-27,30-31H,3-12,14,16-19,21,23-24H2,1-2H3,(H,29,32)(H,33,34,35)/b15-13+,22-20+
InChIKey HLPWTTBKBDKUSJ-OSVJMXPLNA-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 CCCCCCCCCCCC(O)C(=O)NC(CS(O)(=O)=O)C(O)\C=C\CC\C=C\CCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES