| SpectraBase Spectrum ID |
1qICnoIxMvh |
| Name |
Cer 16:3;2O/2:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.230393859 u |
| Formula |
C18H31NO3 |
| InChI |
InChI=1S/C18H31NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)17(15-20)19-16(2)21/h5-6,9-10,13-14,17-18,20,22H,3-4,7-8,11-12,15H2,1-2H3,(H,19,21)/b6-5+,10-9+,14-13+ |
| InChIKey |
WDHWRLMXWIMQFQ-ITJAWTGINA-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 |
CCC\C=C\CC\C=C\CC\C=C\C(O)C(CO)NC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
