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SL 16:3;O/18:2
SpectraBase Compound ID C4U8LvSQokv
InChI InChI=1S/C34H59NO5S/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-34(37)35-32(31-41(38,39)40)33(36)29-27-25-23-21-19-14-12-10-8-6-4-2/h8,10-11,13,16-17,19,21,27,29,32-33,36H,3-7,9,12,14-15,18,20,22-26,28,30-31H2,1-2H3,(H,35,37)(H,38,39,40)/b10-8+,13-11-,17-16-,21-19+,29-27+
InChIKey AFWLWJKBLIXDHM-IDJZKMMXNA-N
Mol Weight 593.9 g/mol
Molecular Formula C34H59NO5S
Exact Mass 593.411395 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JrDRVnuzrQy
Name SL 16:3;O/18:2
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 593.411395173 u
Formula C34H59NO5S
InChI InChI=1S/C34H59NO5S/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-34(37)35-32(31-41(38,39)40)33(36)29-27-25-23-21-19-14-12-10-8-6-4-2/h8,10-11,13,16-17,19,21,27,29,32-33,36H,3-7,9,12,14-15,18,20,22-26,28,30-31H2,1-2H3,(H,35,37)(H,38,39,40)/b10-8+,13-11-,17-16-,21-19+,29-27+
InChIKey AFWLWJKBLIXDHM-IDJZKMMXNA-N
Ion Polarity N
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 CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC(CS(O)(=O)=O)C(O)\C=C\CC\C=C\CC\C=C\CCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES