| SpectraBase Compound ID | 9lufb7DgQOd |
|---|---|
| InChI | InChI=1S/C22H41NO13/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/h11-22,24-25,27-32H,3-9H2,1-2H3,(H,23,26) |
| InChIKey | GJXBPNILAGXGJA-UHFFFAOYNA-N |
| Mol Weight | 527.6 g/mol |
| Molecular Formula | C22H41NO13 |
| Exact Mass | 527.25779 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 4SP27EZhtk2 |
|---|---|
| Name | Hex2Cer 10:0;2O |
| Classification | Sphingolipids [SP] |
| Comments | Dihexosylceramide |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 527.257790371 u |
| Formula | C22H41NO13 |
| InChI | InChI=1S/C22H41NO13/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/h11-22,24-25,27-32H,3-9H2,1-2H3,(H,23,26) |
| InChIKey | GJXBPNILAGXGJA-UHFFFAOYNA-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 | CCCCCC(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 |