| SpectraBase Spectrum ID |
E6PYV1e7JJA |
| Name |
Cer 14:0;2O/16:5;(3OH)(FA 13:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified beta-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
685.564524514 u |
| Formula |
C43H75NO5 |
| InChI |
InChI=1S/C43H75NO5/c1-4-7-10-13-16-19-21-23-25-28-31-34-39(49-43(48)36-33-30-27-24-20-17-14-11-8-5-2)37-42(47)44-40(38-45)41(46)35-32-29-26-22-18-15-12-9-6-3/h7,10,13,16,19,21,23,25,28,31,39-41,45-46H,4-6,8-9,11-12,14-15,17-18,20,22,24,26-27,29-30,32-38H2,1-3H3,(H,44,47)/b10-7+,16-13+,21-19-,25-23-,31-28+ |
| InChIKey |
ZQJKJKWBJSINJE-IOOSOLQQNA-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 |
CCCCCCCCCCCCC(=O)OC(C\C=C\C=C/C=C\C=C\C=C\CC)CC(=O)NC(CO)C(O)CCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
