| SpectraBase Spectrum ID |
HPS6PFQicQv |
| Name |
Cer 23:0;3O/16:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
637.564524514 u |
| Formula |
C39H75NO5 |
| InChI |
InChI=1S/C39H75NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-36(42)38(44)35(34-41)40-39(45)37(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h22,25,29,31,35-38,41-44H,3-21,23-24,26-28,30,32-34H2,1-2H3,(H,40,45)/b25-22-,31-29- |
| InChIKey |
QGHSOUCYEMOWKH-YNYZSHBGNA-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 |
CCCCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)C\C=C/C\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
