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SL 14:3;O/18:5

View entire compound with spectra: 3 MS (LC)

SL 14:3;O/18:5
SpectraBase Compound ID 8kG0jWGLFh7
InChI InChI=1S/C32H49NO5S/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(35)33-30(29-39(36,37)38)31(34)27-25-23-21-19-12-10-8-6-4-2/h4-7,11-13,15-16,18-20,24-27,30-31,34H,3,8-10,14,17,21-23,28-29H2,1-2H3,(H,33,35)(H,36,37,38)/b6-4+,7-5-,13-11-,16-15-,19-12+,20-18-,26-24-,27-25+
InChIKey HEJSBLXIFOSSPL-ZXKCBNGSNA-N
Mol Weight 559.8 g/mol
Molecular Formula C32H49NO5S
Exact Mass 559.333145 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AvXDgg1HVSh
Name SL 14:3;O/18:5
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 559.333144851 u
Formula C32H49NO5S
InChI InChI=1S/C32H49NO5S/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(35)33-30(29-39(36,37)38)31(34)27-25-23-21-19-12-10-8-6-4-2/h4-7,11-13,15-16,18-20,24-27,30-31,34H,3,8-10,14,17,21-23,28-29H2,1-2H3,(H,33,35)(H,36,37,38)/b6-4+,7-5-,13-11-,16-15-,19-12+,20-18-,26-24-,27-25+
InChIKey HEJSBLXIFOSSPL-ZXKCBNGSNA-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 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC(=O)NC(CS(O)(=O)=O)C(O)\C=C\CC\C=C\CC\C=C\C
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES