| SpectraBase Spectrum ID |
EEpfoRSKEu |
| Name |
AHexCer (O-20:4)18:1;2O/16:0;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Acylhexosylceramide |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1001.789498639 u |
| Formula |
C60H107NO10 |
| InChI |
InChI=1S/C60H107NO10/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-36-39-42-45-48-55(65)71-58-57(67)56(66)54(49-62)70-60(58)69-50-51(52(63)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2)61-59(68)53(64)47-44-41-38-35-31-24-21-18-15-12-9-6-3/h16,19,25-26,28,30,36,39,43,46,51-54,56-58,60,62-64,66-67H,4-15,17-18,20-24,27,29,31-35,37-38,40-42,44-45,47-50H2,1-3H3,(H,61,68)/b19-16-,26-25-,30-28-,39-36-,46-43? |
| InChIKey |
AQRRLIBTJRWLKK-XZNJOKQZNA-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)C(=O)NC(COC1OC(CO)C(O)C(O)C1OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)C=CCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
