| SpectraBase Spectrum ID |
BGccMQ8BmWd |
| Name |
Cer 11:1;2O/9:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.292994117 u |
| Formula |
C20H39NO3 |
| InChI |
InChI=1S/C20H39NO3/c1-3-5-7-9-11-13-15-19(23)18(17-22)21-20(24)16-14-12-10-8-6-4-2/h13,15,18-19,22-23H,3-12,14,16-17H2,1-2H3,(H,21,24)/b15-13+ |
| InChIKey |
JCXMIANKSSUENV-FYWRMAATNA-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 |
CCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
