| SpectraBase Spectrum ID |
KYtbT51nfIq |
| Name |
AHexCer (O-16:2)18:1;2O/18:2;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Acylhexosylceramide |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
973.758198511 u |
| Formula |
C58H103NO10 |
| InChI |
InChI=1S/C58H103NO10/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-51(62)57(66)59-49(50(61)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-67-58-56(55(65)54(64)52(47-60)68-58)69-53(63)46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,19,22,25,27,31,37,40-41,44,49-52,54-56,58,60-62,64-65H,4-15,17-18,20-21,23-24,26,28-30,32-36,38-39,42-43,45-48H2,1-3H3,(H,59,66)/b19-16+,25-22+,31-27-,40-37+,44-41? |
| InChIKey |
HGYZFRSBLWWOHD-WZJZGIKINA-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 |
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1OC(=O)CC\C=C\C\C=C/CCCCCCCC)NC(=O)C(O)CCCCCCC\C=C\C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
