| SpectraBase Spectrum ID |
2hIVnil2xVj |
| Name |
Cer 30:1;2O/24:2;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 |
1066.002726317 u |
| Formula |
C70H131NO5 |
| InChI |
InChI=1S/C70H131NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-29-32-35-39-42-46-50-54-58-62-68(73)67(66-72)71-69(74)63-59-55-51-47-43-40-36-33-30-27-25-28-31-34-37-41-45-49-53-57-61-65-76-70(75)64-60-56-52-48-44-38-16-14-12-10-8-6-4-2/h14,16,41,45,53,57-58,62,67-68,72-73H,3-13,15,17-40,42-44,46-52,54-56,59-61,63-66H2,1-2H3,(H,71,74)/b16-14-,45-41-,57-53-,62-58+ |
| InChIKey |
FXNLMKZIIMRBHN-VZRYHPCONA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/CCOC(=O)CCCCCCC\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
