| SpectraBase Spectrum ID |
8Pyl7bJEs2p |
| Name |
Cer 16:1;2O/17:0;(3OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide beta-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
539.491359573 u |
| Formula |
C33H65NO4 |
| InChI |
InChI=1S/C33H65NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-30(36)28-33(38)34-31(29-35)32(37)27-25-23-21-19-16-14-12-10-8-6-4-2/h25,27,30-32,35-37H,3-24,26,28-29H2,1-2H3,(H,34,38)/b27-25+ |
| InChIKey |
XZGRLEOVHJDXFI-IMVLJIQENA-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 |
CCCCCCCCCCCCCCC(O)CC(=O)NC(CO)C(O)\C=C\CCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
