| SpectraBase Spectrum ID |
22nPJP5jBgc |
| Name |
AHexCer (O-20:4)17:1;2O/30:0;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Acylhexosylceramide |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1183.992949477 u |
| Formula |
C73H133NO10 |
| InChI |
InChI=1S/C73H133NO10/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-35-36-37-39-40-42-45-48-51-54-57-60-66(77)72(81)74-64(65(76)59-56-53-50-47-44-24-21-18-15-12-9-6-3)63-82-73-71(70(80)69(79)67(62-75)83-73)84-68(78)61-58-55-52-49-46-43-41-38-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,41,43,49,52,56,59,64-67,69-71,73,75-77,79-80H,4-16,18-19,21-25,27,29-40,42,44-48,50-51,53-55,57-58,60-63H2,1-3H3,(H,74,81)/b20-17-,28-26-,43-41-,52-49-,59-56? |
| InChIKey |
PWYZNAMFIADZHF-GMEBSPGSNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(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=CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
