| SpectraBase Spectrum ID |
IQiwb2JBVPi |
| Name |
Cer 19:0;2O/16:5;(3OH)(FA 13:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified beta-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
753.627124772 u |
| Formula |
C48H83NO5 |
| InChI |
InChI=1S/C48H83NO5/c1-4-7-10-13-16-19-22-23-24-26-28-31-34-37-40-46(51)45(43-50)49-47(52)42-44(39-36-33-30-27-25-20-17-14-11-8-5-2)54-48(53)41-38-35-32-29-21-18-15-12-9-6-3/h8,11-12,14-15,17,20,25,27,30,33,36,44-46,50-51H,4-7,9-10,13,16,18-19,21-24,26,28-29,31-32,34-35,37-43H2,1-3H3,(H,49,52)/b11-8+,15-12-,17-14+,25-20-,30-27-,36-33+ |
| InChIKey |
QQJSNQXWSFCZRY-MIEFAEATNA-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 |
CCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(C\C=C\C=C/C=C\C=C\C=C\CC)OC(=O)CCCCCCC\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
