For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

SL 23:1;O/20:2

View entire compound with spectra: 3 MS (LC)

SL 23:1;O/20:2
SpectraBase Compound ID C8rM8FqNoqu
InChI InChI=1S/C43H81NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-42(45)41(40-50(47,48)49)44-43(46)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,36,38,41-42,45H,3-11,13,15-17,19,21-35,37,39-40H2,1-2H3,(H,44,46)(H,47,48,49)/b14-12-,20-18-,38-36+
InChIKey PIRPOPCFKGQJCV-IVSUEFOUNA-N
Mol Weight 724.2 g/mol
Molecular Formula C43H81NO5S
Exact Mass 723.583546 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BJHEzdQTGho
Name SL 23:1;O/20:2
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 723.583545881 u
Formula C43H81NO5S
InChI InChI=1S/C43H81NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-42(45)41(40-50(47,48)49)44-43(46)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,36,38,41-42,45H,3-11,13,15-17,19,21-35,37,39-40H2,1-2H3,(H,44,46)(H,47,48,49)/b14-12-,20-18-,38-36+
InChIKey PIRPOPCFKGQJCV-IVSUEFOUNA-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 CCCCCCCCCCCCCCCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES