| SpectraBase Spectrum ID |
Bx4kk5FeaC2 |
| Name |
Cer 14:0;2O/17:2;(3OH)(FA 16:5) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified beta-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
737.595824643 u |
| Formula |
C47H79NO5 |
| InChI |
InChI=1S/C47H79NO5/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-47(52)53-43(38-35-32-29-27-24-22-20-17-14-11-8-5-2)41-46(51)48-44(42-49)45(50)39-36-33-30-26-18-15-12-9-6-3/h7-8,10-11,13,16-17,19-21,23,25,28,31,43-45,49-50H,4-6,9,12,14-15,18,22,24,26-27,29-30,32-42H2,1-3H3,(H,48,51)/b10-7+,11-8+,16-13+,20-17+,21-19-,25-23-,31-28+ |
| InChIKey |
ZITOWLKUEXSNDC-UJZNFBSPNA-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 |
CCCCCCCCCCCC(O)C(CO)NC(=O)CC(CCCCCCC\C=C\C\C=C\CC)OC(=O)CCC\C=C\C=C/C=C\C=C\C=C\CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
