| SpectraBase Spectrum ID |
B8vfFhfcP6C |
| Name |
Cer 14:1;2O/25:0;O(FA 21:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
927.861875738 u |
| Formula |
C60H113NO5 |
| InChI |
InChI=1S/C60H113NO5/c1-3-5-7-9-11-13-14-15-16-17-25-28-31-34-38-42-46-50-54-60(65)66-55-51-47-43-39-35-32-29-26-23-21-19-18-20-22-24-27-30-33-37-41-45-49-53-59(64)61-57(56-62)58(63)52-48-44-40-36-12-10-8-6-4-2/h13-14,16-17,48,52,57-58,62-63H,3-12,15,18-47,49-51,53-56H2,1-2H3,(H,61,64)/b14-13-,17-16-,52-48+ |
| InChIKey |
RMNYJVLSOYZSLY-XZXCIBOUNA-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\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
