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SL 12:2;O/12:0;O
SpectraBase Compound ID Fs02t0M56Gp
InChI InChI=1S/C24H45NO6S/c1-3-5-7-9-11-13-15-17-19-23(27)24(28)25-21(20-32(29,30)31)22(26)18-16-14-12-10-8-6-4-2/h8,10,16,18,21-23,26-27H,3-7,9,11-15,17,19-20H2,1-2H3,(H,25,28)(H,29,30,31)/b10-8+,18-16+
InChIKey MOCNWDWLDLCZTG-ISCDPQFYNA-N
Mol Weight 475.7 g/mol
Molecular Formula C24H45NO6S
Exact Mass 475.296759 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HsHx6QiYihy
Name SL 12:2;O/12:0;O
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.296759341 u
Formula C24H45NO6S
InChI InChI=1S/C24H45NO6S/c1-3-5-7-9-11-13-15-17-19-23(27)24(28)25-21(20-32(29,30)31)22(26)18-16-14-12-10-8-6-4-2/h8,10,16,18,21-23,26-27H,3-7,9,11-15,17,19-20H2,1-2H3,(H,25,28)(H,29,30,31)/b10-8+,18-16+
InChIKey MOCNWDWLDLCZTG-ISCDPQFYNA-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+H]+
SMILES CCCCCCCCCCC(O)C(=O)NC(CS(O)(=O)=O)C(O)\C=C\CC\C=C\CCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES