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Cer 20:2;3O/14:1
SpectraBase Compound ID A2wyMldTbFH
InChI InChI=1S/C34H63NO4/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-32(37)34(39)31(30-36)35-33(38)29-27-25-23-21-18-14-12-10-8-6-4-2/h10,12,15-16,20,22,31-32,34,36-37,39H,3-9,11,13-14,17-19,21,23-30H2,1-2H3,(H,35,38)/b12-10-,16-15+,22-20+
InChIKey GEXLCWWJRKXCFL-AWWBKCDFNA-N
Mol Weight 549.9 g/mol
Molecular Formula C34H63NO4
Exact Mass 549.47571 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID D9Hu7DuvLjc
Name Cer 20:2;3O/14:1
Classification Sphingolipids [SP]
Comments Ceramide non-hydroxyfatty acid-phytospingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.475709509 u
Formula C34H63NO4
InChI InChI=1S/C34H63NO4/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-32(37)34(39)31(30-36)35-33(38)29-27-25-23-21-18-14-12-10-8-6-4-2/h10,12,15-16,20,22,31-32,34,36-37,39H,3-9,11,13-14,17-19,21,23-30H2,1-2H3,(H,35,38)/b12-10-,16-15+,22-20+
InChIKey GEXLCWWJRKXCFL-AWWBKCDFNA-N
Ion Polarity N
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 CCCCCCC\C=C\CC\C=C\CCCC(O)C(O)C(CO)NC(=O)CCCCCCC\C=C/CCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES