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SL 15:1;O/20:3

View entire compound with spectra: 3 MS (LC)

SL 15:1;O/20:3
SpectraBase Compound ID 8VL8KIj7qsU
InChI InChI=1S/C35H63NO5S/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(38)36-33(32-42(39,40)41)34(37)30-28-26-24-22-14-12-10-8-6-4-2/h5,7,11,13,16-17,28,30,33-34,37H,3-4,6,8-10,12,14-15,18-27,29,31-32H2,1-2H3,(H,36,38)(H,39,40,41)/b7-5-,13-11-,17-16-,30-28+
InChIKey OJASPDDVOVYPJM-XBMPVSLXNA-N
Mol Weight 610.0 g/mol
Molecular Formula C35H63NO5S
Exact Mass 609.442695 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9R2fGXoWtSi
Name SL 15:1;O/20:3
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 609.442695302 u
Formula C35H63NO5S
InChI InChI=1S/C35H63NO5S/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(38)36-33(32-42(39,40)41)34(37)30-28-26-24-22-14-12-10-8-6-4-2/h5,7,11,13,16-17,28,30,33-34,37H,3-4,6,8-10,12,14-15,18-27,29,31-32H2,1-2H3,(H,36,38)(H,39,40,41)/b7-5-,13-11-,17-16-,30-28+
InChIKey OJASPDDVOVYPJM-XBMPVSLXNA-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)CCCCCCCCC\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