| SpectraBase Compound ID | CqcUlogHBqS |
|---|---|
| InChI | InChI=1S/C10H19NO3/c1-3-4-5-6-10(14)9(7-12)11-8(2)13/h5-6,9-10,12,14H,3-4,7H2,1-2H3,(H,11,13)/b6-5+ |
| InChIKey | JUSMCBHYYNHOOK-AATRIKPKNA-N |
| Mol Weight | 201.27 g/mol |
| Molecular Formula | C10H19NO3 |
| Exact Mass | 201.136493 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | bDQo2WhLfZ |
|---|---|
| Name | Cer 8:1;2O/2:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.136493473 u |
| Formula | C10H19NO3 |
| InChI | InChI=1S/C10H19NO3/c1-3-4-5-6-10(14)9(7-12)11-8(2)13/h5-6,9-10,12,14H,3-4,7H2,1-2H3,(H,11,13)/b6-5+ |
| InChIKey | JUSMCBHYYNHOOK-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-H]- |
| SMILES | CCC\C=C\C(O)C(CO)NC(C)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |