| SpectraBase Compound ID | 2x3XqgjdTQ7 |
|---|---|
| InChI | InChI=1S/C17H33NO8/c1-3-5-6-7-11(20)10(18-13(21)4-2)9-25-17-16(24)15(23)14(22)12(8-19)26-17/h10-12,14-17,19-20,22-24H,3-9H2,1-2H3,(H,18,21) |
| InChIKey | VIIHEXSTWGAKSR-UHFFFAOYNA-N |
| Mol Weight | 379.4 g/mol |
| Molecular Formula | C17H33NO8 |
| Exact Mass | 379.220617 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | JPeIOXDUI62 |
|---|---|
| Name | HexCer 8:0;2O/3:0 |
| Classification | Sphingolipids [SP] |
| Comments | Hexosylceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.220617019 u |
| Formula | C17H33NO8 |
| InChI | InChI=1S/C17H33NO8/c1-3-5-6-7-11(20)10(18-13(21)4-2)9-25-17-16(24)15(23)14(22)12(8-19)26-17/h10-12,14-17,19-20,22-24H,3-9H2,1-2H3,(H,18,21) |
| InChIKey | VIIHEXSTWGAKSR-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+CH3COO]- |
| SMILES | CCCCCC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |