| SpectraBase Spectrum ID |
Lemtt7qKdLA |
| Name |
HexCer 17:3;2O/17:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
695.533618307 u |
| Formula |
C40H73NO8 |
| InChI |
InChI=1S/C40H73NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-36(44)41-33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)34(43)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,19,21,27,29,33-35,37-40,42-43,45-47H,3-9,11,13-18,20,22-26,28,30-32H2,1-2H3,(H,41,44)/b12-10+,21-19+,29-27+ |
| InChIKey |
SEPSJEQVJYUOLJ-LFTZOFPDNA-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 |
CCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CC\C=C\CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
