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SL 10:1;O/20:3

View entire compound with spectra: 3 MS (LC)

SL 10:1;O/20:3
SpectraBase Compound ID 6U5VEPDTItC
InChI InChI=1S/C30H53NO5S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-30(33)31-28(27-37(34,35)36)29(32)25-23-21-8-6-4-2/h5,7,10-11,13-14,23,25,28-29,32H,3-4,6,8-9,12,15-22,24,26-27H2,1-2H3,(H,31,33)(H,34,35,36)/b7-5-,11-10-,14-13-,25-23+
InChIKey UEXAMKMHROURMV-FORQYALXNA-N
Mol Weight 539.8 g/mol
Molecular Formula C30H53NO5S
Exact Mass 539.364445 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4GtvXjrSNV7
Name SL 10:1;O/20:3
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.364444980 u
Formula C30H53NO5S
InChI InChI=1S/C30H53NO5S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-30(33)31-28(27-37(34,35)36)29(32)25-23-21-8-6-4-2/h5,7,10-11,13-14,23,25,28-29,32H,3-4,6,8-9,12,15-22,24,26-27H2,1-2H3,(H,31,33)(H,34,35,36)/b7-5-,11-10-,14-13-,25-23+
InChIKey UEXAMKMHROURMV-FORQYALXNA-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 CCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES