| SpectraBase Spectrum ID |
42T5KftGeyr |
| Name |
Cer 14:1;2O/30:2;O(FA 19:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
965.877525802 u |
| Formula |
C63H115NO5 |
| InChI |
InChI=1S/C63H115NO5/c1-3-5-7-9-11-13-14-15-16-31-34-37-41-45-49-53-57-63(68)69-58-54-50-46-42-38-35-32-29-27-25-23-21-19-17-18-20-22-24-26-28-30-33-36-40-44-48-52-56-62(67)64-60(59-65)61(66)55-51-47-43-39-12-10-8-6-4-2/h13-14,16-18,21,23,31,51,55,60-61,65-66H,3-12,15,19-20,22,24-30,32-50,52-54,56-59H2,1-2H3,(H,64,67)/b14-13-,18-17-,23-21-,31-16-,55-51+ |
| InChIKey |
OOOBTBGISAWFAH-YZHBIGNVNA-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 |
CCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
