| SpectraBase Spectrum ID |
IHQFUaXGqZX |
| Name |
Cer 19:3;2O/13:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.433844696 u |
| Formula |
C32H57NO3 |
| InChI |
InChI=1S/C32H57NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-14-12-10-8-6-4-2/h8,10,13,15,18-19,25,27,30-31,34-35H,3-7,9,11-12,14,16-17,20-24,26,28-29H2,1-2H3,(H,33,36)/b10-8-,15-13+,19-18+,27-25+ |
| InChIKey |
HYLHXONLKZKDES-ABVHNHCPNA-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 |
CCCCCC\C=C\CC\C=C\CC\C=C\C(O)C(CO)NC(=O)CCCCCCC\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
