| SpectraBase Spectrum ID |
3T6HEYgyNZi |
| Name |
Cer 30:3;2O/42:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1078.039111827 u |
| Formula |
C72H135NO4 |
| InChI |
InChI=1S/C72H135NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-63-65-67-71(76)72(77)73-69(68-74)70(75)66-64-62-60-58-56-54-52-50-48-46-44-42-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,35-36,48,50,56,58,64,66,69-71,74-76H,3-31,34,37-47,49,51-55,57,59-63,65,67-68H2,1-2H3,(H,73,77)/b33-32-,36-35-,50-48+,58-56+,66-64+ |
| InChIKey |
FEKJHMAJOMTREW-BFPHYLALNA-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 |
CCCCCCCCCCCCCCCCC\C=C\CC\C=C\CC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
