| SpectraBase Spectrum ID |
CAy1fwKb4bV |
| Name |
Cer 17:1;2O/13:1;(3OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide beta-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.428759315 u |
| Formula |
C30H57NO4 |
| InChI |
InChI=1S/C30H57NO4/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-29(34)28(26-32)31-30(35)25-27(33)23-21-19-17-12-10-8-6-4-2/h10,12,22,24,27-29,32-34H,3-9,11,13-21,23,25-26H2,1-2H3,(H,31,35)/b12-10-,24-22+ |
| InChIKey |
VRFCPMGBCMFEKK-QZIXUXQDNA-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 |
CCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CC(O)CCCC\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
