| SpectraBase Spectrum ID |
7a8hW0uU9Au |
| Name |
Cer 29:2;3O/40:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1040.023461763 u |
| Formula |
C69H133NO4 |
| InChI |
InChI=1S/C69H133NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-58-60-62-64-68(73)70-66(65-71)69(74)67(72)63-61-59-57-55-53-51-49-47-45-43-41-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,47,49,55,57,66-67,69,71-72,74H,3-31,34-46,48,50-54,56,58-65H2,1-2H3,(H,70,73)/b33-32-,49-47+,57-55+ |
| InChIKey |
YROFEFROAROLNT-NJLZUSQXNA-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\C=C/CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
