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Hex2Cer 10:1;2O
SpectraBase Compound ID A0uBwiw0G01
InChI InChI=1S/C22H39NO13/c1-3-4-5-6-12(27)11(23-10(2)26)9-33-21-19(32)17(30)20(14(8-25)35-21)36-22-18(31)16(29)15(28)13(7-24)34-22/h5-6,11-22,24-25,27-32H,3-4,7-9H2,1-2H3,(H,23,26)/b6-5+
InChIKey HGJDPDFYLZGRGY-AATRIKPKNA-N
Mol Weight 525.5 g/mol
Molecular Formula C22H39NO13
Exact Mass 525.24214 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CbnJhJMYb5Z
Name Hex2Cer 10:1;2O
Classification Sphingolipids [SP]
Comments Dihexosylceramide
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.242140307 u
Formula C22H39NO13
InChI InChI=1S/C22H39NO13/c1-3-4-5-6-12(27)11(23-10(2)26)9-33-21-19(32)17(30)20(14(8-25)35-21)36-22-18(31)16(29)15(28)13(7-24)34-22/h5-6,11-22,24-25,27-32H,3-4,7-9H2,1-2H3,(H,23,26)/b6-5+
InChIKey HGJDPDFYLZGRGY-AATRIKPKNA-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+HCOO]-
SMILES CCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(C)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES