| SpectraBase Compound ID | zGHpR872rm |
|---|---|
| InChI | InChI=1S/C21H39NO8/c1-3-4-5-6-7-8-9-10-11-16(25)15(22-14(2)24)13-29-21-20(28)19(27)18(26)17(12-23)30-21/h10-11,15-21,23,25-28H,3-9,12-13H2,1-2H3,(H,22,24)/b11-10+ |
| InChIKey | FLOZETPUEXYAAU-ZHACJKMWNA-N |
| Mol Weight | 433.5 g/mol |
| Molecular Formula | C21H39NO8 |
| Exact Mass | 433.267567 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | DQJfZ5RCUs9 |
|---|---|
| Name | HexCer 13:1;2O/2:0 |
| Classification | Sphingolipids [SP] |
| Comments | Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 433.267567212 u |
| Formula | C21H39NO8 |
| InChI | InChI=1S/C21H39NO8/c1-3-4-5-6-7-8-9-10-11-16(25)15(22-14(2)24)13-29-21-20(28)19(27)18(26)17(12-23)30-21/h10-11,15-21,23,25-28H,3-9,12-13H2,1-2H3,(H,22,24)/b11-10+ |
| InChIKey | FLOZETPUEXYAAU-ZHACJKMWNA-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 | CCCCCCCC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(C)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |