| SpectraBase Spectrum ID |
9IsA7tkJNr6 |
| Name |
HexCer 10:1;2O/3:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.236267083 u |
| Formula |
C19H35NO8 |
| InChI |
InChI=1S/C19H35NO8/c1-3-5-6-7-8-9-13(22)12(20-15(23)4-2)11-27-19-18(26)17(25)16(24)14(10-21)28-19/h8-9,12-14,16-19,21-22,24-26H,3-7,10-11H2,1-2H3,(H,20,23)/b9-8+ |
| InChIKey |
NXNDPSRXNDIHTG-CMDGGOBGNA-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-H]- |
| SMILES |
CCCCC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
