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SL 19:1;O/18:3

View entire compound with spectra: 3 MS (LC)

SL 19:1;O/18:3
SpectraBase Compound ID 27dI4xGfYtT
InChI InChI=1S/C37H67NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(40)38-35(34-44(41,42)43)36(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,30,32,35-36,39H,3-4,6,8-10,12,14-16,18,20-29,31,33-34H2,1-2H3,(H,38,40)(H,41,42,43)/b7-5-,13-11-,19-17-,32-30+
InChIKey ZDWJJNRXNBOEES-AFFCZNJNNA-N
Mol Weight 638.0 g/mol
Molecular Formula C37H67NO5S
Exact Mass 637.473995 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Jz1dhkLGi5e
Name SL 19:1;O/18:3
Classification Sphingolipids [SP]
Comments Sulfonolipid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 637.473995430 u
Formula C37H67NO5S
InChI InChI=1S/C37H67NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(40)38-35(34-44(41,42)43)36(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,30,32,35-36,39H,3-4,6,8-10,12,14-16,18,20-29,31,33-34H2,1-2H3,(H,38,40)(H,41,42,43)/b7-5-,13-11-,19-17-,32-30+
InChIKey ZDWJJNRXNBOEES-AFFCZNJNNA-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 CCCCCCCCCCCCCC\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