| SpectraBase Spectrum ID |
C7GOO4a8GWC |
| Name |
Cer 20:0;2O/20:2;(3OH)(FA 20:4) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified beta-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
921.814925544 u |
| Formula |
C60H107NO5 |
| InChI |
InChI=1S/C60H107NO5/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-60(65)66-56(51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)54-59(64)61-57(55-62)58(63)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28,30,32,35,41,44,56-58,62-63H,4-15,18,21-24,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3,(H,61,64)/b19-16-,20-17-,28-25-,30-26-,35-32-,44-41- |
| InChIKey |
MECBSAUSFSQMKB-WNQWBJSPNA-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 |
CCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
