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

*Links on SpectraBase are not permalinks.

SL 26:1;O/18:3

View entire compound with spectra: 3 MS (LC)

SL 26:1;O/18:3
SpectraBase Compound ID 59xjPlTc9VX
InChI InChI=1S/C44H81NO5S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-43(46)42(41-51(48,49)50)45-44(47)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,37,39,42-43,46H,3-5,7,9-11,13,15-17,19-24,26-36,38,40-41H2,1-2H3,(H,45,47)(H,48,49,50)/b8-6-,14-12-,25-18-,39-37+
InChIKey PBBRWAFZHHSJRN-HQVRIUQDNA-N
Mol Weight 736.2 g/mol
Molecular Formula C44H81NO5S
Exact Mass 735.583546 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 A7F5Zqc49bq
Name SL 26:1;O/18:3
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 735.583545881 u
Formula C44H81NO5S
InChI InChI=1S/C44H81NO5S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-43(46)42(41-51(48,49)50)45-44(47)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,37,39,42-43,46H,3-5,7,9-11,13,15-17,19-24,26-36,38,40-41H2,1-2H3,(H,45,47)(H,48,49,50)/b8-6-,14-12-,25-18-,39-37+
InChIKey PBBRWAFZHHSJRN-HQVRIUQDNA-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 CCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCC\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