| SpectraBase Spectrum ID |
HgnzToSlIW9 |
| Name |
Cer 14:1;2O/24:1;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 |
885.814925544 u |
| Formula |
C57H107NO5 |
| InChI |
InChI=1S/C57H107NO5/c1-3-5-7-9-11-13-14-15-16-25-28-31-35-39-43-47-51-57(62)63-52-48-44-40-36-32-29-26-23-21-19-17-18-20-22-24-27-30-34-38-42-46-50-56(61)58-54(53-59)55(60)49-45-41-37-33-12-10-8-6-4-2/h16,18,20,25,45,49,54-55,59-60H,3-15,17,19,21-24,26-44,46-48,50-53H2,1-2H3,(H,58,61)/b20-18-,25-16-,49-45+ |
| InChIKey |
VDXAUMAPKZFTGF-QQKWLYNMNA-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/CCCCCCCC(=O)OCCCCCCCCCCCC\C=C/CCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
