| SpectraBase Spectrum ID |
2wFBqwz7r2T |
| Name |
HexCer 9:1;2O/3:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.220617019 u |
| Formula |
C18H33NO8 |
| InChI |
InChI=1S/C18H33NO8/c1-3-5-6-7-8-12(21)11(19-14(22)4-2)10-26-18-17(25)16(24)15(23)13(9-20)27-18/h7-8,11-13,15-18,20-21,23-25H,3-6,9-10H2,1-2H3,(H,19,22)/b8-7+ |
| InChIKey |
YZONLMCIKZUPPX-BQYQJAHWNA-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 |
CCCC\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 |
