| SpectraBase Spectrum ID |
EInfk4Bm5XR |
| Name |
Cer 16:2;3O/15:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
509.444409380 u |
| Formula |
C31H59NO4 |
| InChI |
InChI=1S/C31H59NO4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-30(35)32-28(27-33)31(36)29(34)25-23-21-19-17-14-12-10-8-6-4-2/h8,10,17,19,28-29,31,33-34,36H,3-7,9,11-16,18,20-27H2,1-2H3,(H,32,35)/b10-8+,19-17+ |
| InChIKey |
WGKQSRGDDBKHJQ-DRHSYEMWNA-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+CH3COO]- |
| SMILES |
CCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
