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SL 15:1;O/24:3

View entire compound with spectra: 3 MS (LC)

SL 15:1;O/24:3
SpectraBase Compound ID 999qeNdpXs1
InChI InChI=1S/C39H71NO5S/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(42)40-37(36-46(43,44)45)38(41)34-32-30-28-26-14-12-10-8-6-4-2/h15-16,18-19,21-22,32,34,37-38,41H,3-14,17,20,23-31,33,35-36H2,1-2H3,(H,40,42)(H,43,44,45)/b16-15-,19-18-,22-21-,34-32+
InChIKey JYDDADGSEAJGIA-PORLYKJHNA-N
Mol Weight 666.1 g/mol
Molecular Formula C39H71NO5S
Exact Mass 665.505296 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ey7Ju0ka9iF
Name SL 15:1;O/24:3
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 665.505295559 u
Formula C39H71NO5S
InChI InChI=1S/C39H71NO5S/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(42)40-37(36-46(43,44)45)38(41)34-32-30-28-26-14-12-10-8-6-4-2/h15-16,18-19,21-22,32,34,37-38,41H,3-14,17,20,23-31,33,35-36H2,1-2H3,(H,40,42)(H,43,44,45)/b16-15-,19-18-,22-21-,34-32+
InChIKey JYDDADGSEAJGIA-PORLYKJHNA-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 CCCCCCCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES