| SpectraBase Spectrum ID |
Cb720B7ZYnl |
| Name |
Hex2Cer 25:5;2O |
| Classification |
Sphingolipids [SP] |
| Comments |
Dihexosylceramide |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
727.414291015 u |
| Formula |
C37H61NO13 |
| InChI |
InChI=1S/C37H61NO13/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-29(42)38-25(26(41)20-18-8-6-4-2)24-48-36-34(47)32(45)35(28(23-40)50-36)51-37-33(46)31(44)30(43)27(22-39)49-37/h5,7,10-11,13-14,16-18,20,25-28,30-37,39-41,43-47H,3-4,6,8-9,12,15,19,21-24H2,1-2H3,(H,38,42)/b7-5-,11-10-,14-13-,17-16-,20-18+ |
| InChIKey |
OKKQTDDWDZJOBH-APAIMLLZNA-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 |
CCCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)CC\C=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 |
