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SL 14:1;O/24:5

View entire compound with spectra: 3 MS (LC)

SL 14:1;O/24:5
SpectraBase Compound ID BxzDKE1zzwW
InChI InChI=1S/C38H65NO5S/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(41)39-36(35-45(42,43)44)37(40)33-31-29-27-25-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,31,33,36-37,40H,3-4,6,8-10,12,14,17,20,23-30,32,34-35H2,1-2H3,(H,39,41)(H,42,43,44)/b7-5-,13-11-,16-15-,19-18-,22-21-,33-31+
InChIKey LUFXVRHWYYKLTC-GZJGBSCDNA-N
Mol Weight 648.0 g/mol
Molecular Formula C38H65NO5S
Exact Mass 647.458345 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CTVi1SvTIxJ
Name SL 14:1;O/24:5
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 647.458345366 u
Formula C38H65NO5S
InChI InChI=1S/C38H65NO5S/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(41)39-36(35-45(42,43)44)37(40)33-31-29-27-25-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,31,33,36-37,40H,3-4,6,8-10,12,14,17,20,23-30,32,34-35H2,1-2H3,(H,39,41)(H,42,43,44)/b7-5-,13-11-,16-15-,19-18-,22-21-,33-31+
InChIKey LUFXVRHWYYKLTC-GZJGBSCDNA-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 CCCCCCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCC\C=C/C\C=C/C\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