| SpectraBase Spectrum ID |
2XH7y2rTAgE |
| Name |
Cer 20:1;2O/24:2;O(FA 19:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
967.893175866 u |
| Formula |
C63H117NO5 |
| InChI |
InChI=1S/C63H117NO5/c1-3-5-7-9-11-13-15-17-19-29-33-37-41-45-49-53-57-63(68)69-58-54-50-46-42-38-34-30-26-24-22-20-21-23-25-28-32-36-40-44-48-52-56-62(67)64-60(59-65)61(66)55-51-47-43-39-35-31-27-18-16-14-12-10-8-6-4-2/h19,29,34,38,46,50-51,55,60-61,65-66H,3-18,20-28,30-33,35-37,39-45,47-49,52-54,56-59H2,1-2H3,(H,64,67)/b29-19-,38-34-,50-46-,55-51+ |
| InChIKey |
VIVIHSINRHXBTI-DZIYWKDANA-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 |
CCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/CCOC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
