| SpectraBase Compound ID | D0mGyzmVUy8 |
|---|---|
| InChI | InChI=1S/C14H27NO3/c1-3-4-5-6-7-8-9-10-14(18)13(11-16)15-12(2)17/h9-10,13-14,16,18H,3-8,11H2,1-2H3,(H,15,17)/b10-9+ |
| InChIKey | JADSDSXBCJZTMR-MDZDMXLPNA-N |
| Mol Weight | 257.37 g/mol |
| Molecular Formula | C14H27NO3 |
| Exact Mass | 257.199094 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | DsAw2hkLKjI |
|---|---|
| Name | Cer 12:1;2O/2:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.199093730 u |
| Formula | C14H27NO3 |
| InChI | InChI=1S/C14H27NO3/c1-3-4-5-6-7-8-9-10-14(18)13(11-16)15-12(2)17/h9-10,13-14,16,18H,3-8,11H2,1-2H3,(H,15,17)/b10-9+ |
| InChIKey | JADSDSXBCJZTMR-MDZDMXLPNA-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 | CCCCCCC\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 |