| SpectraBase Spectrum ID |
65eocMv6XqD |
| Name |
Cer 29:2;2O/22:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
785.726110539 u |
| Formula |
C51H95NO4 |
| InChI |
InChI=1S/C51H95NO4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-49(54)48(47-53)52-51(56)50(55)46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h12,14,16,18,35,37,43,45,48-50,53-55H,3-11,13,15,17,19-34,36,38-42,44,46-47H2,1-2H3,(H,52,56)/b14-12-,18-16-,37-35+,45-43+ |
| InChIKey |
SWAZOHPLNZZDOX-PXJUQLHMNA-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 |
CCCCCCCCCCCCCCCCCCCC\C=C\CC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCCCCCCC\C=C/C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
