| SpectraBase Spectrum ID |
JJyyodBqwMt |
| Name |
HexCer 19:3;2O/2:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
513.330167469 u |
| Formula |
C27H47NO8 |
| InChI |
InChI=1S/C27H47NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(31)21(28-20(2)30)19-35-27-26(34)25(33)24(32)23(18-29)36-27/h8-9,12-13,16-17,21-27,29,31-34H,3-7,10-11,14-15,18-19H2,1-2H3,(H,28,30)/b9-8+,13-12+,17-16+ |
| InChIKey |
CRYYNWDRBGPXFN-BDZHJYRONA-N |
| Ion Polarity |
P |
| 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 |
CCCCCC\C=C\CC\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 |
