| SpectraBase Spectrum ID |
6wjijjbLWhu |
| Name |
Cer 22:2;3O/16:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
603.522659702 u |
| Formula |
C38H69NO4 |
| InChI |
InChI=1S/C38H69NO4/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-36(41)38(43)35(34-40)39-37(42)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2/h18-20,23-24,26-27,29,35-36,38,40-41,43H,3-17,21-22,25,28,30-34H2,1-2H3,(H,39,42)/b19-18+,23-20-,26-24+,29-27- |
| InChIKey |
BPUFUDHTMHACNQ-LWMCJFQSNA-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\CC\C=C\CCCC(O)C(O)C(CO)NC(=O)CC\C=C/C\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
