| SpectraBase Spectrum ID |
FoQ24AsPdyI |
| Name |
Cer 29:2;2O/36:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
983.960861505 u |
| Formula |
C65H125NO4 |
| InChI |
InChI=1S/C65H125NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-64(69)65(70)66-62(61-67)63(68)59-57-55-53-51-49-47-45-43-41-39-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,49,51,57,59,62-64,67-69H,3-28,31-48,50,52-56,58,60-61H2,1-2H3,(H,66,70)/b30-29-,51-49+,59-57+ |
| InChIKey |
QRFWPSRZYNGWPE-HTSBABFCNA-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+CH3COO]- |
| SMILES |
CCCCCCCCCCCCCCCCCCCC\C=C\CC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
