| SpectraBase Spectrum ID |
G2Zv2RxIHe2 |
| Name |
HexCer 13:2;2O/2:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.251917147 u |
| Formula |
C21H37NO8 |
| InChI |
InChI=1S/C21H37NO8/c1-3-4-5-6-7-8-9-10-11-16(25)15(22-14(2)24)13-29-21-20(28)19(27)18(26)17(12-23)30-21/h6-7,10-11,15-21,23,25-28H,3-5,8-9,12-13H2,1-2H3,(H,22,24)/b7-6+,11-10+ |
| InChIKey |
JPGYYKGEEWMVAP-MVQNEBOGNA-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 |
CCCC\C=C\CC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
