| SpectraBase Spectrum ID |
2wBezMnYY8t |
| Name |
Cer 19:1;2O/12:1;O(FA 16:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
745.658424900 u |
| Formula |
C47H87NO5 |
| InChI |
InChI=1S/C47H87NO5/c1-3-5-7-9-11-13-15-17-19-20-23-27-31-35-39-45(50)44(43-49)48-46(51)40-36-32-28-24-22-26-30-34-38-42-53-47(52)41-37-33-29-25-21-18-16-14-12-10-8-6-4-2/h14,16,24,28,35,39,44-45,49-50H,3-13,15,17-23,25-27,29-34,36-38,40-43H2,1-2H3,(H,48,51)/b16-14-,28-24-,39-35+ |
| InChIKey |
QKNPLZAISZFPSO-KLAZCLQCNA-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 |
CCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCC\C=C/CCCCCCOC(=O)CCCCCCC\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
